data_2cr0_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 2cr0 _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 ' 13' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.903 0.383 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.31 -148.58 24.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.04 128.37 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -89.45 102.89 15.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -97.8 152.68 38.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -15.63 37.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.86 -26.98 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' CE1' HD13 ' A' ' 17' ' ' LEU . 19.6 p90 -174.32 170.03 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.01 142.12 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.52 ' CD2' HD21 ' A' ' 105' ' ' LEU . 51.6 p-90 -148.94 148.74 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -120.63 157.51 29.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.0 pt20 -142.2 134.69 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 p -137.14 174.08 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' NE1' ' A' ' 101' ' ' TRP . 12.0 mt -63.9 -11.59 29.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' HB1' ' CD ' ' A' ' 28' ' ' GLU . . . -94.16 -69.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.406 ' CD ' ' HB1' ' A' ' 27' ' ' ALA . 1.3 pm0 -150.87 174.19 13.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -112.75 153.25 28.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.2 t70 -136.15 139.95 43.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -125.28 142.91 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.08 107.2 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -102.91 98.11 10.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CD1' HD13 ' A' ' 59' ' ' LEU . 52.5 m-85 -105.97 129.05 54.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -71.48 72.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 m -119.27 158.53 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -116.89 6.63 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -127.44 -176.34 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -89.31 129.26 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.04 137.33 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -105.84 143.54 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.03 -27.97 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -83.41 -37.4 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.63 -38.73 75.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.33 159.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -129.62 97.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG13 ' CD1' ' A' ' 81' ' ' TRP . 70.8 t -115.6 106.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.83 118.31 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.9 mt -110.4 128.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -130.22 -177.98 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -55.13 -63.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.0 ttm180 -121.5 29.47 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -146.05 134.99 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.7 tp -137.79 141.74 40.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -139.42 140.03 37.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.4 t -145.5 142.52 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.26 -151.93 14.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 35' ' ' PHE . 3.6 mt -130.95 140.5 50.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -44.24 131.42 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.29 -53.98 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.433 ' NE2' ' HD2' ' A' ' 63' ' ' PRO . 4.4 mm100 -66.73 163.08 45.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' NE2' ' A' ' 62' ' ' GLN . 53.2 Cg_endo -69.73 144.08 53.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.69 5.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.62 -40.08 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.19 113.53 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.75 105.52 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.17 163.08 27.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.22 143.88 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.45 147.03 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' HB3' ' CE3' ' A' ' 102' ' ' TRP . 24.5 t80 -50.48 -41.53 53.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.408 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 3.3 t30 -147.78 174.83 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 12.1 mt-10 -67.51 142.59 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 76' ' ' VAL . 23.9 m -135.24 121.07 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -43.91 91.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.9 p -66.97 -42.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.46 ' N ' HG11 ' A' ' 76' ' ' VAL . 5.7 mt-10 -54.64 -14.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.11 -36.83 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.7 m -45.39 154.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 m -169.52 156.34 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.56 ' CD1' HG13 ' A' ' 48' ' ' VAL . 57.5 p-90 -131.09 164.2 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -151.7 156.28 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 35.2 mt -90.81 130.88 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -105.52 126.18 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 48.14 27.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 49.1 24.28 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -127.13 -33.17 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 89' ' ' VAL . 71.1 t -116.39 159.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' N ' HG13 ' A' ' 88' ' ' VAL . 38.9 t -125.4 99.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -85.62 141.15 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 81' ' ' TRP . 59.3 t -131.67 119.12 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -90.13 131.11 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.9 mt -120.94 116.06 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.438 ' OE1' ' C ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -83.42 122.83 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ASN . 63.2 mttt -78.07 112.28 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 95' ' ' LYS . 33.6 mm -37.11 -30.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LYS . 58.2 m-20 -133.25 123.0 24.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.44 3.25 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 91.0 mmm -112.58 28.39 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -128.25 143.85 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.595 ' NE1' ' CD2' ' A' ' 26' ' ' LEU . 43.0 m95 -114.34 142.21 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 71' ' ' TYR . 11.1 m95 -97.18 152.35 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -110.03 -10.43 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -175.3 162.7 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -63.4 -59.44 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.52 -177.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.7 p -82.09 12.58 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.6 t -107.63 -38.82 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.58 160.79 76.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 166.78 26.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -98.11 168.67 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.14 -147.65 13.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.28 121.01 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -82.55 109.44 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -112.99 150.99 43.75 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.81 30.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.98 -34.83 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.1 p90 -171.18 155.42 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -115.12 135.6 54.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.449 ' CH2' ' HA ' ' A' ' 104' ' ' ARG . 45.9 p-90 -143.07 139.14 30.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -120.05 149.02 42.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.3 pt20 -128.63 137.89 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ALA . 54.6 p -137.24 148.44 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 54.6 mt -40.49 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -82.65 -67.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.9 176.68 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.3 tt -112.79 167.0 10.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -149.77 143.66 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.19 141.74 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.96 105.7 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.41 96.39 7.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 121.97 8.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 59' ' ' LEU . 54.5 m-85 -105.26 124.64 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -69.07 70.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.64 147.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 18.31 21.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -140.2 -178.89 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -83.08 133.0 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.2 135.72 33.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' ASP . 64.2 mmtt -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.2 -33.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -78.14 -34.75 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' LYS . 25.0 t0 -59.79 -42.16 92.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -92.81 158.31 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.94 103.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.77 114.24 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -109.06 107.2 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mt -97.73 128.27 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -127.66 -175.95 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.68 -52.75 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.4 32.65 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.408 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.0 t-80 -153.49 139.52 18.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.3 tp -143.31 141.54 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 12.0 ttm180 -139.51 146.35 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 95.7 t -146.72 142.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.87 -150.3 12.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 35' ' ' PHE . 7.5 mt -135.81 136.86 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -39.9 136.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.15 -49.57 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.11 160.52 82.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.5 t -116.17 113.28 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -144.66 106.45 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.93 150.4 9.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.39 140.79 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 54' ' ' HIS . 41.4 mt -75.59 140.23 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -49.61 -44.2 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -143.31 168.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.44 145.11 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 76' ' ' VAL . 23.0 m -136.36 123.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -43.74 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.8 p -69.12 -37.53 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 76' ' ' VAL . 18.9 mt-10 -55.77 -22.38 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -109.4 -36.74 5.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -44.88 156.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -174.37 169.62 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -140.92 166.84 23.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -157.8 162.11 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.478 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 55.6 mt -92.4 138.94 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.0 109.82 19.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.1 26.73 10.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 50.72 25.82 9.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -131.43 -43.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.49 159.46 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -127.41 99.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 p -85.91 140.54 30.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.5 t -129.01 113.79 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.7 123.5 31.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.6 mt -113.94 117.99 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.56 119.86 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -78.19 120.39 22.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.5 mm -45.64 -43.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.69 111.34 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -68.08 -3.79 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 87.6 mmm -116.19 34.02 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -131.87 145.24 51.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.484 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 59.5 m95 -103.43 162.41 13.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.491 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.3 m0 -118.08 143.39 46.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 32.4 t30 -91.62 -21.95 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.449 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 16.8 ptt180 -175.04 160.59 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.32 -58.84 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.5 m -133.9 150.55 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.5 p -46.52 -28.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -66.68 -48.58 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.86 161.32 15.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.17 46.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.455 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 2.6 mp0 -95.19 156.84 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.6 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.42 -133.78 6.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB2' ' CZ2' ' A' ' 22' ' ' TRP . . . -149.54 120.19 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.86 101.84 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.522 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 1.5 mt -108.72 153.69 42.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -22.39 32.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -89.9 -33.22 16.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 3.4 p90 -173.08 156.24 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.74 139.88 50.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.503 ' CZ2' ' HB2' ' A' ' 15' ' ' ALA . 67.6 p-90 -137.88 150.65 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.1 p -122.94 156.88 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -135.21 135.41 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.5 p -134.61 141.55 46.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.4 mt -37.19 -28.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -64.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.76 175.06 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 30' ' ' ASP . 1.6 tt -111.07 167.24 10.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' N ' HD22 ' A' ' 29' ' ' LEU . 12.4 t70 -149.9 149.95 31.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -136.98 147.36 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.88 112.83 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -110.06 103.82 54.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.707 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.39 12.1 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -111.68 116.86 31.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -63.46 80.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.06 145.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -103.24 21.74 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -146.04 -175.43 4.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -92.05 121.96 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.8 mt -72.07 155.82 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.4 mmpt? -123.6 142.94 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.2 -38.77 3.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.58 56.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.737 0.304 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 19.7 t0 -64.64 -40.58 95.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 34.8 m -93.49 156.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.9 t -125.83 107.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.4 t -123.67 113.71 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.49 110.75 21.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.428 HD13 ' CG1' ' A' ' 91' ' ' VAL . 70.5 mt -104.35 128.57 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -128.08 -178.99 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.85 -52.15 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -127.76 33.73 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.33 139.4 15.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.5 tp -138.93 141.69 38.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -140.01 138.95 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 58' ' ' GLY . 89.3 t -143.73 142.65 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.415 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 171.09 -149.04 11.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.1 mt -132.91 147.59 52.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -48.32 133.38 15.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.8 -49.89 2.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.49 161.05 68.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.51 57.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.619 2.212 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 119.93 6.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.32 -38.54 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.4 119.29 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -151.51 115.55 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.53 154.73 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -66.41 131.66 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.31 138.87 57.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -50.73 -44.02 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -139.28 171.2 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.88 155.82 32.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' VAL . 27.6 m -149.72 121.69 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -46.04 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 77' ' ' GLU . 7.5 p -69.31 -40.42 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.471 ' N ' HG13 ' A' ' 76' ' ' VAL . 18.9 mt-10 -55.33 -21.54 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -105.74 -39.57 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 m -45.22 147.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -163.56 149.6 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.428 ' CZ3' HG22 ' A' ' 46' ' ' VAL . 39.4 p-90 -118.63 175.32 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -163.38 151.08 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 88.3 mt -85.05 129.11 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.34 122.08 45.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 46.63 35.45 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.64 32.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.441 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -134.36 -31.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 HG11 ' N ' ' A' ' 89' ' ' VAL . 36.6 t -121.25 154.92 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.482 ' N ' HG11 ' A' ' 88' ' ' VAL . 78.5 t -120.35 100.57 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.8 p -89.53 139.15 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 50' ' ' ILE . 46.6 t -130.15 118.5 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 130.85 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.1 mt -118.86 119.64 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 123.42 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 66.8 mttt -81.36 108.53 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 95' ' ' LYS . 37.2 mm -35.25 -40.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 96' ' ' ILE . 5.6 m-80 -120.44 120.13 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.73 -22.59 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.0 mmt -93.02 32.29 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -133.73 145.52 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.509 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 55.6 m95 -107.68 172.05 7.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -126.25 141.19 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 0.4 OUTLIER -93.98 -15.89 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -175.06 166.34 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.11 -50.91 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 109' ' ' ASP . 9.9 m -150.81 144.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' VAL . 61.8 p -33.35 -39.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.9 t -61.3 -51.18 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' VAL . 9.4 m-20 -60.61 160.98 15.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.462 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 1.9 mp0 -95.57 145.14 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.6 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 -143.08 12.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.45 120.12 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.73 0.3 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.02 107.44 13.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -108.39 151.3 41.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.99 35.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -90.8 -31.99 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 17' ' ' LEU . 5.4 p90 -174.43 158.1 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -114.45 132.56 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.9 p-90 -139.34 136.89 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -120.57 153.68 36.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 10.8 pt20 -132.12 133.69 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -131.21 -177.17 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 27.8 mt -82.05 16.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.0 -48.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.53 174.52 10.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.605 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.4 tt -114.0 123.24 49.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.22 137.52 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -134.76 134.23 40.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.14 116.27 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.4 t -110.25 98.81 37.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.675 0.75 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 123.42 10.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -106.85 139.95 40.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -79.85 49.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 26.1 m -90.74 152.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -115.47 18.53 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -145.16 -179.35 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -79.27 115.15 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.9 mt -67.79 137.62 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -111.98 139.54 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.13 -38.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -72.31 -38.65 68.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.54 -40.76 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -93.93 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -120.15 101.78 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.506 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 54.6 t -119.37 114.15 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -110.32 115.12 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.0 mt -105.42 132.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -130.82 176.25 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -57.14 -50.53 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -130.55 38.38 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -161.11 136.6 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.2 tp -134.54 144.45 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -137.37 138.42 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -144.59 143.56 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.91 -153.0 21.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 mt -131.78 138.73 48.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 1.2 tmtp? -40.54 126.99 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.472 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 84.03 -54.05 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.37 163.0 15.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.1 55.93 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 112.39 3.07 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 66' ' ' VAL . 10.8 p -63.73 -30.66 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.433 ' N ' HG12 ' A' ' 65' ' ' VAL . 48.2 t -128.91 112.65 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -148.69 105.35 3.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.56 161.27 30.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -72.5 126.61 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.06 131.36 49.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.64 -36.32 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -143.96 -179.4 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.43 146.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' VAL . 19.9 m -138.88 122.67 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -43.11 95.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.0 p -73.04 -40.83 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -57.59 -21.51 39.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -106.22 -39.49 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -47.04 152.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.5 p -170.4 147.3 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CE2' ' HB ' ' A' ' 48' ' ' VAL . 66.2 p-90 -119.92 164.11 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 83' ' ' ILE . 1.2 pp -144.72 168.82 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.475 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 63.5 mt -102.23 117.91 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.22 129.06 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' LYS . 47.5 m-20 40.1 34.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.28 24.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 2.0 ptpp? -127.09 -18.64 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 89' ' ' VAL . 7.6 t -135.16 146.51 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.405 ' N ' HG13 ' A' ' 88' ' ' VAL . 55.5 t -114.72 98.77 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -86.82 138.4 31.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -127.13 120.48 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -90.09 118.51 29.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.7 mt -111.54 115.96 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.52 115.46 22.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.72 114.39 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -40.17 -34.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -124.8 111.48 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 29.3 mmtp -62.74 -32.01 73.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 32.0 mmt -86.39 28.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.23 141.31 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.564 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 48.7 m95 -106.94 154.81 20.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 9.1 m0 -112.27 148.78 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.42 -16.07 16.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -174.71 162.76 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.9 tp -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.45 146.4 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.2 p -39.53 -41.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -55.21 -47.22 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.62 161.31 71.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.13 66.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.86 144.54 25.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 56.3 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.02 -148.97 18.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.53 120.85 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.75 105.89 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -109.39 152.81 42.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -24.86 29.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -85.98 -35.89 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD1' HD11 ' A' ' 17' ' ' LEU . 7.3 p90 -170.62 152.16 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -114.98 135.92 53.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 42.1 p-90 -141.47 138.08 32.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -119.09 147.78 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 4.1 pt20 -122.93 139.95 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 30.7 p -137.95 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.5 mt -37.3 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -67.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 27' ' ' ALA . 1.3 pm0 -150.28 177.78 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -146.6 132.62 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -123.49 133.4 54.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -126.12 119.4 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.513 ' CG1' ' CZ ' ' A' ' 35' ' ' PHE . 78.7 t -114.44 95.99 41.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 126.34 13.24 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.66 ' CE1' ' CD2' ' A' ' 59' ' ' LEU . 97.0 m-85 -115.68 115.18 25.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -60.84 78.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' PHE . 23.6 m -121.25 148.3 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -105.24 10.81 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -130.96 -178.04 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -85.88 132.84 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.4 mt -87.63 130.86 34.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ASP . 26.5 mmmt -108.88 135.79 49.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.45 -33.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -38.15 59.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' LYS . 63.2 m-20 -57.01 -38.14 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.1 m -102.33 167.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.32 106.54 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.462 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 74.0 t -122.6 113.91 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -106.66 117.48 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.55 128.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -126.2 -176.97 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -59.73 -53.34 59.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.2 ttm180 -129.98 28.01 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -147.04 135.25 21.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.3 tp -135.43 140.37 44.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -136.49 135.03 38.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.7 t -139.51 140.41 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.89 155.43 9.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.66 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -70.66 132.06 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LEU . 6.3 tmtm? -31.61 -72.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.74 58.42 4.21 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -175.3 165.1 2.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.44 69.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 109.07 2.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.98 -31.5 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -128.11 107.76 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -133.33 102.85 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -173.68 160.83 31.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.36 125.52 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.39 146.4 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -64.5 -35.48 81.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -140.66 170.34 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 7.8 mt-10 -70.13 146.05 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' VAL . 10.3 m -139.26 126.04 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -49.23 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.4 p -67.16 -42.92 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.433 ' N ' HG11 ' A' ' 76' ' ' VAL . 14.9 mt-10 -53.12 -19.03 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.23 -31.7 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -52.18 153.48 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -171.84 150.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.475 ' CE3' HG13 ' A' ' 89' ' ' VAL . 50.0 p-90 -124.08 158.03 33.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 pp -144.37 154.02 42.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 21.9 mt -91.65 117.69 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.96 133.56 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.429 ' HB3' ' CD ' ' A' ' 87' ' ' LYS . 2.7 t70 43.48 35.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.3 24.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.429 ' CD ' ' HB3' ' A' ' 85' ' ' ASP . 4.8 ptmt -126.74 -34.71 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.77 158.32 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG13 ' CE3' ' A' ' 81' ' ' TRP . 60.2 t -127.56 93.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.2 p -80.17 139.04 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.12 114.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -85.76 123.23 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.9 mt -115.13 114.24 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.42 125.0 31.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -83.67 121.84 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.459 HG23 ' ND2' ' A' ' 97' ' ' ASN . 41.2 mm -44.12 -36.47 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' ND2' HG23 ' A' ' 96' ' ' ILE . 4.6 m-80 -120.75 121.66 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.89 -9.63 58.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 mmt -106.76 35.86 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -129.93 143.2 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.518 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 33.7 m95 -111.05 144.26 40.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.432 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 13.8 m0 -104.72 158.12 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -119.48 -8.16 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -171.73 138.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.0 tp -52.26 -62.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.96 -177.66 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.6 p -76.51 -19.88 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.2 m -87.59 -5.06 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -103.33 158.17 32.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.92 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 111' ' ' GLU . 4.1 mp0 -108.26 166.01 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.24 -139.78 5.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.48 120.22 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.45 107.6 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.518 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -106.53 151.87 40.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.35 37.07 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -92.84 -30.81 15.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.518 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 4.3 p90 -174.19 160.26 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -117.89 127.5 53.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 19.5 p-90 -135.04 135.42 41.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.4 p -118.05 159.58 22.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.7 pt20 -135.79 135.65 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ALA . 56.6 p -133.89 144.46 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.4 mt -36.16 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.24 -67.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.81 175.99 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.577 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -113.25 138.16 50.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -114.86 155.95 25.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tp -146.86 143.83 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.408 ' HB1' ' NH1' ' A' ' 21' ' ' ARG . . . -142.24 108.38 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.0 t -104.94 103.59 42.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.099 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.94 8.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' VAL . 27.0 m-85 -106.22 113.14 26.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -62.84 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' PHE . 27.9 m -127.08 148.52 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -105.0 22.6 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -146.47 -175.26 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -89.48 129.85 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.62 131.56 34.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ASP . 23.5 mmmt -98.97 139.8 34.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.2 -39.04 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -70.9 -38.1 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.7 m-20 -58.04 -41.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.02 154.14 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.68 106.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.2 t -122.13 113.38 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -106.12 112.94 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.3 mt -106.83 118.21 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -121.09 176.57 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -57.23 -51.02 71.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 ttp-105 -131.28 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.457 ' N ' HD13 ' A' ' 70' ' ' LEU . 2.2 t-160 -162.27 125.4 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.4 tp -124.28 141.92 51.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' C ' HG22 ' A' ' 57' ' ' VAL . 30.7 ttt180 -140.18 142.44 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 56' ' ' ARG . 98.1 t -148.69 142.28 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 171.09 -152.11 17.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -132.2 141.55 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -40.93 135.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 -57.95 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.33 161.71 17.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.08 52.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.62 3.13 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.411 HG22 ' CE2' ' A' ' 20' ' ' TYR . 9.9 p -55.62 -33.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.1 t -129.23 118.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -154.73 117.46 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.12 160.22 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -64.3 133.03 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 54' ' ' HIS . 28.3 mt -71.88 133.74 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -42.4 -48.03 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -138.93 178.49 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -68.7 152.02 45.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' VAL . 22.8 m -146.72 121.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -43.51 95.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 77' ' ' GLU . 7.5 p -73.98 -37.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.467 ' N ' HG13 ' A' ' 76' ' ' VAL . 6.8 mm-40 -59.43 -23.82 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -105.17 -39.44 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -49.71 153.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -168.13 173.46 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -141.34 171.54 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 pp -158.93 146.01 17.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.475 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 50.3 mt -81.68 125.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -101.72 128.09 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.7 m-20 42.57 37.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.56 27.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' ASP . 9.5 ptpt -128.8 -27.82 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.9 t -125.4 158.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.38 100.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.2 p -87.1 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.42 116.07 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 2.1 t60 -89.06 123.2 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.62 117.41 32.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.29 124.64 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.4 mttt -83.19 109.1 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' LYS . 35.9 mm -33.89 -43.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -116.89 116.38 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 27.3 mmtp -69.06 -18.26 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.5 mmt -95.98 32.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -136.18 144.27 44.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.521 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 64.8 m95 -100.97 176.64 5.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 5.7 m95 -130.49 138.34 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -86.75 -24.41 25.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.442 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 31.1 ptt180 -174.91 170.28 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.6 tp -72.91 -58.36 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 109' ' ' ASP . 6.6 m -133.75 145.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.1 p -39.32 -41.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.5 t -56.27 -41.93 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 106' ' ' VAL . 1.1 m-20 -65.58 159.87 64.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.83 20.32 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.16 150.58 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.411 HD11 ' NE2' ' A' ' 24' ' ' GLN . 15.6 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.901 0.382 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.18 -141.1 5.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.07 122.81 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.92 101.14 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD13 ' CD1' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -99.93 151.85 37.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.887 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.83 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -89.56 -33.07 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CD1' HD13 ' A' ' 17' ' ' LEU . 3.3 p90 -170.4 162.15 8.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -120.08 130.71 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -139.73 138.56 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.7 p -117.86 172.02 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.2 pt20 -151.56 138.64 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 45.7 p -136.5 -175.94 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.7 mt -82.47 23.44 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 -47.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -167.06 173.81 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -110.96 135.89 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -111.94 135.65 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 tp -133.54 141.31 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.66 112.62 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 94.3 t -102.62 98.78 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.76 127.21 14.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -112.43 152.39 28.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -92.61 46.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.1 m -90.05 147.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 18.99 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.37 -175.15 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -87.44 129.24 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.2 mt -90.06 130.43 36.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.5 mmmt -100.53 144.37 29.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.93 -37.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -75.03 -37.98 61.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' LYS . 3.1 m-20 -57.4 -41.0 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -92.42 167.39 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG22 ' CA ' ' A' ' 60' ' ' LYS . 88.3 t -136.52 111.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.7 t -129.39 119.56 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -109.22 109.24 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.56 118.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -122.38 173.48 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -55.66 -55.68 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -124.59 39.17 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -161.66 137.4 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.4 tp -136.75 146.14 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -139.72 139.03 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -144.12 131.03 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.76 -163.17 34.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -115.7 141.72 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -46.67 141.18 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 75.72 -48.44 2.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.42 162.4 74.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.69 45.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 20' ' ' TYR . 82.1 t -62.05 -41.96 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG21 ' CZ ' ' A' ' 20' ' ' TYR . 79.9 t -117.57 107.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -141.28 106.4 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.23 155.08 18.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.14 126.39 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.47 142.12 55.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -56.47 -39.47 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 10.0 t-20 -140.28 174.58 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.4 148.77 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 76' ' ' VAL . 19.5 m -141.13 122.41 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.2 95.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 77' ' ' GLU . 6.6 p -71.67 -39.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.4 pt-20 -57.35 -24.39 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -103.47 -40.15 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -46.98 148.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -162.46 149.06 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.468 ' CB ' HG21 ' A' ' 91' ' ' VAL . 55.2 p-90 -121.4 169.94 10.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.65 163.46 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.472 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 43.2 mt -96.6 124.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -99.6 124.68 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.2 m-20 43.3 41.72 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 33.84 34.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ASP . 11.5 ptpt -134.95 -34.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 89' ' ' VAL . 29.9 t -119.21 155.66 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.471 ' N ' HG11 ' A' ' 88' ' ' VAL . 55.5 t -121.62 101.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.6 p -89.91 144.03 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 81' ' ' TRP . 59.8 t -134.06 112.83 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -83.54 118.08 23.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.6 mt -111.08 119.53 39.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -84.51 125.12 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -82.22 115.88 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.62 -41.96 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 44.3 m-80 -115.33 79.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' LEU . 35.6 mttm -43.31 -28.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.6 mmt -83.76 24.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' ASN . 3.3 tp10 -131.05 143.21 50.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.501 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 73.9 m95 -97.6 168.22 10.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.452 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.8 m0 -124.29 138.89 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -87.74 -18.72 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -174.2 165.68 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.3 tp -70.13 -56.33 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.2 m -136.0 152.82 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.2 p -45.96 -31.32 2.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -68.3 -40.32 81.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.37 160.5 50.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.01 22.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -101.0 141.44 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.98 -145.82 15.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.57 120.61 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.15 114.4 21.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 20' ' ' TYR . 2.2 mt -113.81 153.43 46.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.49 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -93.16 -32.48 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.568 ' CE1' HD13 ' A' ' 17' ' ' LEU . 4.1 p90 -172.36 160.05 4.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -119.0 137.14 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -142.93 143.93 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.8 p -121.9 154.93 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 15.7 pt20 -131.34 141.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.0 p -137.28 179.8 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 17.1 mt -82.26 23.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.79 -44.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -168.67 173.7 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.1 138.56 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.24 146.11 39.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.28 137.99 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.11 112.5 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.94 105.77 54.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 122.8 9.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -109.36 113.92 27.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -62.05 81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.73 146.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -105.55 26.63 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.21 -178.53 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -89.54 125.92 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -86.37 134.08 33.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.2 mmmt -101.16 144.28 30.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.99 -34.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -74.5 -39.22 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' LYS . 1.3 m-20 -57.35 -41.13 79.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.78 157.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -127.41 109.3 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.57 109.66 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.68 113.3 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.6 mt -104.67 123.23 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -124.4 173.53 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -57.15 -56.24 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.21 37.86 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.447 ' N ' HD13 ' A' ' 70' ' ' LEU . 1.7 t60 -163.35 144.48 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.0 tp -141.63 147.02 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' C ' HG21 ' A' ' 57' ' ' VAL . 31.3 ttt180 -139.97 141.64 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG21 ' C ' ' A' ' 56' ' ' ARG . 93.0 t -145.98 140.69 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.43 -151.43 19.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.03 142.64 48.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -48.15 141.66 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -51.37 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.31 161.94 76.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.54 40.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.3 6.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.8 t -59.39 -44.91 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.16 122.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 1.5 t0 -157.7 112.71 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.86 151.35 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.68 130.62 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 54' ' ' HIS . 31.2 mt -66.5 138.24 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -50.63 -42.35 56.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 19.2 t-20 -142.99 166.42 24.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 72' ' ' ASN . 9.4 mt-10 -60.77 151.59 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' VAL . 23.3 m -145.93 122.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -44.59 95.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.5 p -73.9 -35.79 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' N ' HG13 ' A' ' 76' ' ' VAL . 23.6 mt-10 -60.41 -25.99 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.82 -39.27 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -48.92 153.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -166.11 172.4 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.452 ' CB ' HG21 ' A' ' 91' ' ' VAL . 44.1 p-90 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.25 146.97 10.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.472 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 48.3 mt -83.9 125.26 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -100.55 128.95 46.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER 44.65 36.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.49 31.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 85' ' ' ASP . 12.4 ptmt -134.39 -32.64 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 89' ' ' VAL . 53.9 t -118.85 153.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.47 ' N ' HG12 ' A' ' 88' ' ' VAL . 60.4 t -120.26 100.2 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -88.36 142.06 28.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 81' ' ' TRP . 55.1 t -134.92 114.89 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 5.0 t60 -86.49 119.73 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.8 mt -111.19 119.43 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -86.08 124.54 32.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 102' ' ' TRP . 66.8 mttt -81.29 109.39 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.7 mm -35.22 -45.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -114.88 85.98 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 54.2 mttt -45.71 -23.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.7 mmt -87.48 30.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.2 tp10 -136.15 145.41 45.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.558 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 64.2 m95 -101.62 163.69 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.5 m0 -118.85 140.57 49.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -87.89 -20.38 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -174.84 166.19 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.7 tp -67.9 -63.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' ASP . 15.6 m -133.01 145.36 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' VAL . 76.4 p -36.05 -34.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 106' ' ' VAL . 4.1 t -61.93 -49.23 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . 18.5 m-20 -60.44 158.94 26.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.27 22.04 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -101.85 142.11 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.9 -142.74 10.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.89 120.12 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.0 106.68 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.65 154.43 41.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -21.67 33.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.39 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -90.13 -33.63 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CD1' HD11 ' A' ' 17' ' ' LEU . 6.5 p90 -175.14 154.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -115.33 137.19 52.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 19.2 p-90 -143.21 145.11 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -121.93 159.06 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.7 pt20 -132.47 134.38 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ALA . 46.6 p -133.8 146.97 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 18.7 mt -40.19 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -83.17 -67.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.27 -177.93 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.477 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 2.5 tt -119.2 127.92 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.47 146.36 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tp -137.83 145.97 42.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.76 114.56 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.36 96.79 28.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 123.66 10.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -107.73 142.91 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -82.76 54.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 19.8 m -100.17 152.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -112.6 18.57 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.4 -178.34 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HE ' ' N ' ' A' ' 86' ' ' GLY . 6.4 tpt180 -85.76 114.07 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.96 138.29 55.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' LYS . 29.8 mmtt -111.09 140.17 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.46 -27.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' LYS . 18.1 pttp -81.79 -43.06 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.3 m-20 -57.46 -38.65 74.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.5 m -91.25 160.01 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -132.05 103.24 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.7 t -124.15 115.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -109.03 114.31 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.5 mt -106.92 118.63 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -120.96 -175.6 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -64.54 -51.5 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -129.17 36.75 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -159.72 138.34 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 tp -140.21 145.76 37.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' C ' HG21 ' A' ' 57' ' ' VAL . 11.3 ttm180 -140.14 150.77 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.425 HG21 ' C ' ' A' ' 56' ' ' ARG . 59.1 t -153.21 143.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.12 -157.46 29.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' LYS . 10.5 mt -128.7 135.41 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' LEU . 21.1 tptt -35.22 137.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -55.47 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.9 161.62 28.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.491 HG11 ' N ' ' A' ' 66' ' ' VAL . 10.9 p -61.04 -29.87 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.491 ' N ' HG11 ' A' ' 65' ' ' VAL . 27.4 t -127.42 119.68 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -153.19 112.99 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.53 161.64 26.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.61 124.38 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.409 HD11 ' CG2' ' A' ' 74' ' ' VAL . 52.2 mt -55.33 131.02 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -45.04 -38.59 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -145.08 171.32 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.56 139.88 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' VAL . 21.9 m -133.54 127.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -47.55 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 77' ' ' GLU . 3.7 p -67.7 -40.91 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' HG13 ' A' ' 76' ' ' VAL . 6.0 pt-20 -58.16 -21.23 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -105.33 -34.41 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m -50.76 147.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -165.23 160.45 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -138.26 171.2 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -159.94 160.05 33.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.48 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 63.8 mt -85.89 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -116.98 116.76 28.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 7.6 t70 59.73 25.04 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 48.37 17.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 1.5 ptpt -129.97 -11.71 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 89' ' ' VAL . 41.5 t -131.57 159.33 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' N ' HG11 ' A' ' 88' ' ' VAL . 50.8 t -128.91 105.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 p -95.01 131.78 40.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.3 t -121.59 122.4 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.9 t60 -94.63 114.65 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.9 mt -102.9 115.62 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -83.34 123.82 30.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.22 122.37 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.6 mm -44.18 -37.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -123.69 121.71 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -70.99 -10.03 59.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 30.5 mmt -103.74 35.33 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.16 146.26 48.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.476 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 55.7 m95 -109.84 160.69 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.496 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 9.7 m0 -118.38 133.9 55.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.03 -12.76 21.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -168.82 126.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 6.5 tt -45.22 -49.91 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 m -145.62 163.67 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.0 p -58.74 -12.6 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.7 m -100.48 35.4 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -141.17 152.05 63.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 109' ' ' ASP . 53.9 Cg_endo -69.81 138.96 38.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -69.58 158.61 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.5 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 35.5 m-80 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.72 -137.16 6.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.83 125.01 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.76 98.9 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.582 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -102.59 153.9 37.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -19.48 36.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -92.22 -31.92 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.582 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.0 p90 -174.99 159.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -118.69 136.62 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -136.9 152.06 49.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.4 p -123.05 164.38 18.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 16.4 pt20 -143.95 138.41 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.2 p -136.59 179.95 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.54 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.1 mt -82.76 23.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.77 -43.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -168.64 173.39 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.2 tt -113.3 142.47 45.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.02 144.33 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.5 143.4 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.63 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.96 102.73 37.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 130.96 20.32 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.403 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.58 133.79 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.49 48.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m -95.64 147.53 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -109.63 26.23 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -148.36 -177.18 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -90.19 122.93 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.8 mt -78.74 146.21 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 45' ' ' ASP . 38.0 mmtt -118.85 141.05 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . -36.98 -40.55 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' LYS . 8.8 t0 -58.63 -40.29 82.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -95.72 163.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -133.35 104.7 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.5 t -122.65 116.96 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -111.58 109.23 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.7 mt -99.54 126.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -126.3 176.25 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -56.89 -58.18 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -122.04 34.67 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.433 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.3 t-160 -156.69 142.24 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -142.29 141.32 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -135.32 136.8 41.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.71 143.49 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.24 -163.77 35.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.9 mt -117.26 146.3 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 6.6 tmtt? -47.79 133.57 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 80.97 -57.31 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -63.49 162.25 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.36 37.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.78 4.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.66 -43.05 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.87 116.49 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -155.04 106.91 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.88 146.34 6.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.72 127.17 24.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 54' ' ' HIS . 32.3 mt -62.3 148.4 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.34 -44.94 84.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -138.45 177.89 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.67 141.15 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 76' ' ' VAL . 22.7 m -134.94 125.97 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.73 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -71.95 -32.07 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.64 -25.98 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.4 -39.13 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -43.5 148.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -165.64 154.36 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -125.91 166.84 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.02 163.43 39.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.475 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 69.5 mt -95.31 129.73 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -105.15 120.82 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' LYS . 4.1 m-20 46.74 37.46 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 38.53 25.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.9 ptpt -128.14 -27.69 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 89' ' ' VAL . 57.4 t -124.08 159.59 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.437 ' N ' HG11 ' A' ' 88' ' ' VAL . 56.0 t -127.39 102.6 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -90.95 142.09 28.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.51 113.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 5.4 t60 -85.17 122.97 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.16 119.92 37.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -83.68 121.45 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -76.72 115.9 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.23 -41.59 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 100' ' ' GLU . 49.2 m-20 -116.47 81.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -43.22 -28.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.05 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 4.0 tp10 -133.95 145.25 49.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.54 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 70.6 m95 -101.99 167.8 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.489 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 8.7 m0 -122.49 140.86 52.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -93.0 -15.47 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -170.62 169.88 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.6 tp -79.1 -50.17 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.8 -178.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.7 p -82.66 28.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -131.28 -43.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.3 154.39 87.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 139.25 39.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.66 162.13 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.467 HD12 ' NE2' ' A' ' 24' ' ' GLN . 7.6 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.65 179.94 27.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.31 119.99 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -78.12 107.79 10.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD13 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.18 153.23 41.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.95 31.64 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.44 -34.2 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CD1' HD13 ' A' ' 17' ' ' LEU . 11.2 p90 -171.96 157.32 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -118.81 137.01 53.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -141.51 151.51 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -125.38 168.46 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 102' ' ' TRP . 21.7 pt20 -143.14 134.54 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 27' ' ' ALA . 52.6 p -135.04 144.52 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 14.3 mt -44.0 -22.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -84.42 -57.43 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.45 174.65 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.5 tt -111.54 162.48 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.469 ' N ' HD21 ' A' ' 29' ' ' LEU . 3.7 t70 -145.8 144.88 30.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 32' ' ' ALA . 5.3 tp -135.8 132.27 36.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -123.68 118.24 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' CZ ' ' A' ' 35' ' ' PHE . 82.8 t -111.33 98.56 40.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.89 9.55 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.587 ' CE1' HD22 ' A' ' 59' ' ' LEU . 86.6 m-85 -113.67 130.49 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.14 62.32 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.4 m -94.47 143.76 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.55 19.86 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -148.91 179.43 7.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -82.62 125.69 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.1 mt -81.1 133.45 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' ASP . 19.0 mttt -111.94 142.24 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.468 ' N ' HD12 ' A' ' 83' ' ' ILE . . . -39.0 -40.74 1.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.45 -34.12 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LYS . 77.6 m-20 -61.01 -41.56 96.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG23 ' CH2' ' A' ' 81' ' ' TRP . 32.7 m -97.25 147.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.2 t -117.64 99.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 81' ' ' TRP . 25.5 t -114.05 105.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.08 124.59 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.4 mt -116.67 127.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -127.76 -179.48 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 8.0 tpp85 -51.41 -57.9 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' LEU . 10.3 ttt180 -129.13 20.65 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -131.4 133.72 45.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.7 tp -134.48 140.25 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -139.25 131.78 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 58' ' ' GLY . 97.7 t -134.28 143.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 167.3 173.96 35.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -85.19 157.76 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -57.18 125.16 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.65 -51.35 4.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.83 162.23 12.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 142.6 48.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 122.66 9.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 t -67.73 -25.59 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.29 109.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -140.53 111.43 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.42 24.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.2 116.07 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.6 mt -43.76 161.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.66 -43.35 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.443 ' CG ' ' OE2' ' A' ' 100' ' ' GLU . 36.3 t30 -139.32 170.36 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 10.8 mt-10 -67.63 134.92 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 76' ' ' VAL . 22.5 m -130.64 121.85 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -42.45 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.2 p -66.22 -40.62 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 76' ' ' VAL . 14.2 mt-10 -52.45 -20.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -110.3 -37.96 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.9 m -40.83 150.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.7 p -168.38 179.93 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.573 ' CH2' HG23 ' A' ' 46' ' ' VAL . 46.5 p-90 -152.42 171.24 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 pp -158.27 142.81 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 43' ' ' GLY . 14.4 mt -80.6 125.02 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 7.4 mt-10 -102.09 144.98 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.461 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 43.5 t0 40.87 25.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 49.26 16.69 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 2.3 ptpt -127.56 -21.37 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 36.3 t -120.12 159.46 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.44 97.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.8 p -85.31 135.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.4 118.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.64 123.31 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.2 mt -113.93 118.75 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -83.37 122.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ILE . 81.0 mttt -80.86 114.06 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' LYS . 28.6 mm -36.36 -42.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -119.81 122.93 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.68 -5.62 31.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -109.65 35.2 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' CG ' ' A' ' 72' ' ' ASN . 15.7 tt0 -132.46 138.94 47.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.533 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 54.1 m95 -107.34 160.05 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 11.9 m0 -115.45 150.36 36.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -107.56 -11.2 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -174.22 150.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.4 tp -56.93 -63.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.52 158.35 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.0 p -52.3 -18.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -95.31 31.11 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -137.64 157.01 74.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 145.92 58.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.98 164.94 19.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 15.2 m-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.87 0.366 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.42 -151.49 28.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.38 120.73 8.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.89 94.41 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.569 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 2.2 mt -93.99 153.58 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -95.16 -30.67 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.569 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.4 p90 -173.18 161.02 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.67 133.77 55.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -137.9 147.5 44.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.7 p -124.05 166.61 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.78 135.96 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ALA . 73.0 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 14.6 mt -36.45 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.15 -64.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -151.33 178.88 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 tt -110.91 162.67 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.39 148.72 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -141.68 146.9 36.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.04 115.03 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -111.83 103.26 55.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.9 8.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' VAL . 40.5 m-85 -108.98 114.39 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -61.06 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' PHE . 33.4 m -131.44 144.95 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -104.51 24.68 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -149.18 -177.72 5.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -86.7 123.52 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.62 137.6 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 134.5 38.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.39 -36.59 4.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -77.27 -35.82 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.68 -42.52 88.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -91.41 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.89 111.88 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.473 HG12 ' CG ' ' A' ' 81' ' ' TRP . 53.4 t -127.63 93.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -91.4 119.21 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 71.8 mt -111.16 122.23 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -122.43 175.17 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -57.81 -58.8 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -119.61 37.5 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -161.4 145.68 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.2 tp -145.11 142.12 29.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -140.34 136.63 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -141.31 141.06 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.74 -143.78 8.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 mt -132.25 152.48 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -57.87 135.62 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 -46.23 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.63 162.99 71.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.91 39.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.17 9.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.14 -41.32 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 78.7 t -118.67 115.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.89 110.85 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.27 155.65 13.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -66.1 134.99 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.2 mt -70.57 135.56 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.72 -44.77 9.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -138.77 175.49 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.8 150.57 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 76' ' ' VAL . 33.1 m -143.35 121.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' N ' HD13 ' A' ' 96' ' ' ILE . 15.4 tttm -42.44 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' VAL . 9.5 p -69.5 -33.81 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 76' ' ' VAL . 36.9 mm-40 -59.31 -24.72 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' CG ' ' HZ2' ' A' ' 75' ' ' LYS . 2.4 mm-40 -104.34 -39.32 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -42.92 147.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -166.7 153.58 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.473 ' CG ' HG12 ' A' ' 48' ' ' VAL . 29.9 p-90 -122.95 173.09 8.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD12 ' C ' ' A' ' 82' ' ' LEU . 2.2 pp -163.84 142.54 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 68.5 mt -80.12 126.19 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -102.26 130.58 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' LYS . 1.6 m-20 43.74 38.51 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 36.39 31.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ASP . 11.9 ptpt -133.74 -33.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 77.7 t -116.74 159.37 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.442 ' N ' HG11 ' A' ' 88' ' ' VAL . 76.5 t -127.44 98.4 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -86.46 141.47 29.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 81' ' ' TRP . 44.4 t -131.99 112.54 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 127.21 33.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.8 mt -118.06 118.39 31.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 95' ' ' LYS . 8.3 tp10 -83.32 124.86 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 96' ' ' ILE . 72.9 mttt -81.75 109.91 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 95' ' ' LYS . 22.9 mm -33.75 -44.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -117.32 120.14 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -70.4 -22.82 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.4 mmt -91.47 30.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -133.49 144.56 49.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.527 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -106.43 174.2 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -126.92 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -95.06 -16.77 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -174.78 163.91 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.3 tp -70.17 -51.63 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.76 146.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -43.63 -42.19 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -59.63 -35.76 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.15 159.83 82.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.82 154.12 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' ASN . 8.5 pt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.54 -150.6 11.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.16 119.99 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.74 112.07 18.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.615 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -113.22 152.43 45.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.92 35.35 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -91.21 -32.18 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.615 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 8.0 p90 -174.81 160.34 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -117.35 133.28 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 14.3 p-90 -140.97 138.81 34.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -117.84 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.7 pt20 -140.38 131.06 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.7 p -132.54 145.94 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.2 mt -35.12 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -74.22 -68.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.52 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 0.8 OUTLIER -150.99 176.93 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.547 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.5 tt -113.85 139.17 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.01 153.16 32.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -142.73 144.78 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.45 106.56 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.7 t -102.16 99.4 12.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -117.94 134.84 54.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -76.61 49.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 27.6 m -94.84 134.61 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -97.24 20.38 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.84 -179.84 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -83.88 132.52 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.05 135.13 33.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.8 mttt -106.09 144.93 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.46 -34.56 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -31.71 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.5 m-20 -63.79 -40.34 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.99 160.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.5 t -129.96 107.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -126.32 111.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.22 115.58 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 64.1 mt -109.37 120.62 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -122.88 179.79 4.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -57.86 -54.36 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -128.2 37.91 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.2 t-80 -157.77 129.92 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -128.4 143.39 50.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -140.23 141.23 35.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -149.44 141.9 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.78 -158.81 31.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.02 143.33 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -46.72 140.34 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.68 -50.1 2.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -74.16 161.38 78.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 143.31 50.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 120.62 7.38 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.741 2.294 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.6 -39.67 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.56 122.81 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -159.56 116.6 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.85 159.87 19.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -67.4 117.28 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 74' ' ' VAL . 17.9 mt -52.68 134.83 35.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.442 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 15.5 t80 -43.44 -43.0 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -143.79 175.66 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.418 ' C ' HG13 ' A' ' 74' ' ' VAL . 4.1 mt-10 -63.43 155.4 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 70' ' ' LEU . 21.1 m -151.54 121.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.478 ' N ' HD11 ' A' ' 96' ' ' ILE . 34.5 tttt -44.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 77' ' ' GLU . 7.2 p -75.16 -37.17 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.452 ' N ' HG12 ' A' ' 76' ' ' VAL . 14.6 mt-10 -60.11 -24.93 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.19 -39.49 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -48.03 154.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -166.96 174.83 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.449 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -143.95 171.59 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.38 164.07 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 63.9 mt -95.48 130.53 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -106.52 115.6 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . 18.5 m-20 51.23 38.5 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.65 28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -131.11 -29.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.416 ' CG2' ' HE3' ' A' ' 87' ' ' LYS . 66.4 t -121.54 159.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.41 ' N ' HG11 ' A' ' 88' ' ' VAL . 71.5 t -127.5 101.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 p -88.45 140.03 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 81' ' ' TRP . 47.6 t -133.03 113.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.52 ' CE1' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t60 -84.7 127.53 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.0 mt -116.09 115.42 26.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.14 128.51 34.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.9 mttt -87.49 111.0 20.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.478 HD11 ' N ' ' A' ' 75' ' ' LYS . 36.7 mm -33.24 -40.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -120.65 117.89 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.56 -15.89 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mmt -96.99 31.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.66 140.19 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.527 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 56.4 m95 -104.15 168.45 9.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.547 ' CE3' HD13 ' A' ' 29' ' ' LEU . 7.9 m0 -125.34 133.39 52.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -84.13 -21.83 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.55 146.94 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 5.3 tt -47.84 -58.89 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.461 HG12 ' CD2' ' A' ' 105' ' ' LEU . 5.3 m -144.15 158.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.4 p -45.86 -24.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 t -90.51 38.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.77 161.57 42.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.68 58.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -89.21 142.96 27.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.475 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.3 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.02 -145.99 10.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.55 119.99 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -105.4 152.86 40.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.565 0.697 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -19.41 36.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.402 ' HB3' ' CD2' ' A' ' 20' ' ' TYR . 7.6 t-20 -92.85 -30.23 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 17' ' ' LEU . 6.1 p90 -174.01 165.91 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -122.6 129.3 51.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 18.3 p-90 -137.6 137.56 38.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -117.83 157.86 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.1 pt20 -134.25 134.95 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' ALA . 49.4 p -134.01 144.66 48.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 11.9 mt -36.71 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.43 -68.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -148.21 174.53 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -112.56 132.59 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -110.75 148.01 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -137.03 145.44 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.88 107.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.14 101.09 24.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.748 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.57 12.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' VAL . 43.7 m-85 -114.72 116.91 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -63.65 76.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 35.5 m -118.62 150.05 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -110.55 23.96 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -147.78 -178.21 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -89.78 114.0 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.27 148.28 47.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASP . 10.8 mmtp -117.23 141.99 47.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' HD13 ' A' ' 83' ' ' ILE . . . -40.41 -35.74 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -74.83 -38.78 61.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LYS . 79.6 m-20 -57.71 -40.57 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.471 HG12 ' CD2' ' A' ' 59' ' ' LEU . 30.1 m -92.08 159.04 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.2 t -128.25 100.99 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.7 t -118.79 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.74 108.66 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.6 mt -100.07 126.02 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.86 175.53 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -59.33 -55.26 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -123.18 36.85 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' N ' HD11 ' A' ' 70' ' ' LEU . 41.7 t-80 -161.74 146.28 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.9 tp -145.9 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.424 ' C ' HG22 ' A' ' 57' ' ' VAL . 15.7 ttm180 -140.21 137.28 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 58' ' ' GLY . 80.2 t -140.49 144.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 171.01 -156.55 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 46' ' ' VAL . 9.3 mt -132.36 138.51 47.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -39.78 137.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -57.92 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -63.9 161.78 35.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.92 52.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.8 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 66' ' ' VAL . 12.6 p -57.3 -29.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.498 ' N ' HG12 ' A' ' 65' ' ' VAL . 46.9 t -133.7 123.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -161.03 111.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.4 159.19 21.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.49 132.27 52.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 54' ' ' HIS . 37.9 mt -70.31 139.19 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -49.88 -41.51 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.7 -174.99 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.94 145.43 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.9 m -139.04 120.06 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -42.39 97.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 p -72.65 -36.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.44 -23.64 62.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -105.71 -39.23 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 m -48.95 159.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -173.56 172.44 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 50.3 p-90 -142.3 170.62 15.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 pp -158.79 156.44 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.501 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 96.8 mt -89.43 127.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -104.77 121.73 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 46.37 33.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.501 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.97 28.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 18.9 ptmt -130.09 -25.64 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.3 t -129.58 149.36 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.89 99.57 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.6 p -85.41 137.71 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -131.18 116.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 3.1 t60 -88.96 126.19 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.3 mt -115.77 117.3 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.29 120.21 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' ILE . 69.1 mttt -76.52 110.79 11.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LYS . 25.1 mm -33.76 -37.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 95' ' ' LYS . 10.3 t-20 -124.51 120.83 33.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' LEU . 42.3 mmtt -70.48 -18.0 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 19.2 mmt -96.21 32.31 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -134.35 144.18 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 49.2 m95 -103.58 170.55 7.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.49 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.0 m95 -128.69 137.68 51.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.0 -19.58 23.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.428 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 20.2 ptt-85 -174.31 163.71 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 tp -68.95 -54.61 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.75 179.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.1 p -83.85 28.17 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -122.4 -50.14 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.51 162.73 7.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.39 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.82 154.08 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.446 HD12 ' NE2' ' A' ' 24' ' ' GLN . 8.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.22 -141.34 8.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.69 119.98 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -83.89 108.73 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.547 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 1.8 mt -108.12 152.37 41.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.52 36.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -92.24 -32.22 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 4.8 p90 -171.84 159.8 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -118.57 134.89 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -141.5 142.61 33.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -117.73 173.73 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.7 pt20 -154.36 136.33 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.5 p -133.93 -175.32 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 23.8 mt -81.82 26.11 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.96 -52.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -161.45 175.36 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.53 133.86 55.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.84 136.01 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp -131.34 133.8 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.49 111.66 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.2 t -104.96 102.32 35.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 121.85 8.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -108.8 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -65.53 76.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.89 146.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -105.53 24.59 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -145.87 -178.19 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.404 ' HD3' ' NZ ' ' A' ' 42' ' ' LYS . 4.6 ttt85 -90.99 126.31 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.5 mt -80.76 148.49 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' NZ ' ' HD3' ' A' ' 40' ' ' ARG . 15.6 mmtm -110.77 148.8 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.23 34.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -81.92 -31.27 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -40.91 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' A' ' 59' ' ' LEU . 27.4 m -92.16 150.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.32 104.7 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.83 106.62 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -102.77 114.12 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.0 mt -106.5 115.51 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -117.09 173.24 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -60.46 -52.22 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -123.07 37.75 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.432 ' N ' HD13 ' A' ' 70' ' ' LEU . 1.8 t60 -165.34 144.79 6.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.445 ' CD2' HD12 ' A' ' 93' ' ' LEU . 30.6 tp -139.21 145.87 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -140.22 141.75 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -149.1 143.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.05 -155.52 26.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' HG11 ' A' ' 46' ' ' VAL . 20.3 mt -128.88 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -48.35 138.94 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.88 -57.37 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.33 162.05 36.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.44 54.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.9 p -50.65 -34.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.55 117.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -154.05 110.68 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.07 156.5 15.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.16 131.04 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 54' ' ' HIS . 30.9 mt -69.81 133.54 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -44.32 -43.31 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -141.07 170.64 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.64 147.09 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.9 m -140.3 124.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.55 95.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 77' ' ' GLU . 7.4 p -71.82 -39.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.441 ' N ' HG11 ' A' ' 76' ' ' VAL . 3.6 pt-20 -57.78 -23.29 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.51 -40.03 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -49.2 149.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -167.83 147.56 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -115.87 171.65 7.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.13 141.51 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 97.1 mt -76.85 127.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -105.09 123.61 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.421 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 38.6 m-20 45.69 34.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.16 28.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HD3' ' CB ' ' A' ' 85' ' ' ASP . 14.6 ptmt -129.61 -28.66 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.469 HG11 ' N ' ' A' ' 89' ' ' VAL . 34.4 t -124.76 156.56 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.469 ' N ' HG11 ' A' ' 88' ' ' VAL . 74.4 t -123.34 97.35 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -85.16 135.68 33.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 44.0 t -128.01 111.44 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.06 117.77 23.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 55' ' ' LEU . 46.9 mt -110.13 117.33 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -83.51 121.58 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -76.79 117.2 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -45.96 -38.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' GLU . 9.5 m120 -118.93 80.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -42.48 -27.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.9 mmt -86.47 29.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 2.5 tp10 -137.27 146.94 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.57 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 82.5 m95 -100.54 171.73 7.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.3 m0 -124.44 143.26 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.91 -23.28 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -172.34 170.72 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.22 -46.38 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.07 164.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.7 p -54.32 -32.34 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.9 p -82.22 40.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -146.88 159.59 42.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.728 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.74 57.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.61 141.99 28.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.9 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.26 -148.53 11.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.49 120.09 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.56 105.33 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -106.44 152.65 40.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.862 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.01 35.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 -32.6 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.557 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.0 p90 -175.16 157.72 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -113.68 133.67 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 22' ' ' TRP . 18.1 p-90 -142.38 143.58 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -124.27 161.77 25.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.9 pt20 -134.62 137.28 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . 67.8 p -134.31 144.25 48.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.6 mt -38.58 -26.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -81.75 -66.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.19 174.3 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.3 tt -111.75 136.32 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.17 151.9 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tp -142.65 144.34 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.78 113.1 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.63 102.14 51.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.4 12.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' VAL . 28.3 m-85 -114.13 114.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -61.86 79.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' PHE . 34.5 m -120.63 152.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -105.99 13.27 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -146.79 -175.48 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -82.66 121.5 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.9 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.0 mmmt -95.97 136.01 36.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.35 -38.17 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -69.37 -40.97 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 5.6 m-20 -58.07 -38.89 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.48 153.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -126.03 95.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.6 t -114.64 110.18 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -108.71 114.31 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.6 mt -105.67 125.19 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -125.84 178.46 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' NH1' HG12 ' A' ' 76' ' ' VAL . 23.4 tpp180 -58.37 -54.14 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -128.14 39.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -160.44 134.86 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.7 tp -135.9 139.55 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' C ' HG22 ' A' ' 57' ' ' VAL . 57.4 ttp180 -140.15 139.08 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 56' ' ' ARG . 78.3 t -144.93 147.57 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.45 -152.39 21.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 60' ' ' LYS . 17.9 mt -131.56 129.33 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -31.99 -72.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -75.12 50.52 2.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 1.2 mt-30 -175.83 164.65 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.47 66.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 66' ' ' VAL . 8.5 p -48.69 -32.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.498 ' N ' HG13 ' A' ' 65' ' ' VAL . 47.3 t -130.45 120.8 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -152.66 106.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.55 152.37 9.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.72 139.8 56.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 mt -74.63 140.39 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.92 -44.03 50.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -142.65 172.77 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.47 144.72 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' VAL . 33.2 m -137.77 120.82 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -44.01 91.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.7 p -65.56 -41.64 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 76' ' ' VAL . 16.8 mt-10 -56.89 -19.46 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.35 -36.12 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 m -50.72 151.1 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -170.23 148.4 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -120.32 167.82 11.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 pp -155.21 150.23 26.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.478 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 85.5 mt -84.85 126.15 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.18 131.22 51.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 87' ' ' LYS . 33.8 m-20 41.38 32.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.06 22.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' ASP . 14.6 ptmt -127.11 -15.77 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.15 154.44 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.9 t -120.81 100.94 9.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -88.34 138.65 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.1 t -129.77 115.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 3.2 t60 -87.0 123.9 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.8 mt -112.09 117.35 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.43 123.72 29.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -81.57 117.46 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.6 mm -42.48 -36.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -124.4 118.26 26.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.07 -16.51 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.72 32.44 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -133.26 142.08 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.491 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -103.77 164.93 11.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 7.7 m0 -122.91 141.2 52.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 10.4 p-10 -96.91 -14.62 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 -173.08 161.33 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.67 -59.21 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 m -130.1 -177.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -84.24 26.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -120.11 -43.8 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.63 162.37 67.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.23 35.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.312 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -91.77 160.29 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.462 HD13 ' NE2' ' A' ' 24' ' ' GLN . 6.8 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.9 -146.37 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.55 120.07 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.74 109.05 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 20' ' ' TYR . 2.0 mt -112.44 151.3 43.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.722 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -21.86 33.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -89.59 -34.15 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.525 ' CE1' HD13 ' A' ' 17' ' ' LEU . 2.7 p90 -174.3 150.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -110.69 141.65 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.2 p-90 -146.82 145.83 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -122.03 164.69 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -138.66 132.83 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ALA . 59.7 p -131.14 143.46 50.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.421 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -41.29 -24.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -83.87 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.52 177.43 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -113.63 155.41 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' N ' HD21 ' A' ' 29' ' ' LEU . 8.3 m-20 -134.13 149.04 51.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -139.81 146.36 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HB1' ' NH1' ' A' ' 21' ' ' ARG . . . -139.97 106.0 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -107.82 104.77 54.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.723 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 122.46 9.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -97.89 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -87.26 82.93 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.15 153.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -110.44 20.26 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.92 179.32 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -85.35 119.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 mt -74.58 139.28 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mmmt -101.14 136.71 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -77.2 -36.61 54.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.4 m-20 -58.47 -40.84 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.97 153.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.97 107.4 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' CG ' ' A' ' 81' ' ' TRP . 73.8 t -122.63 95.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.66 121.33 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.7 mt -113.25 123.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -123.38 -176.08 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -64.44 -58.3 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -122.25 36.92 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -159.9 138.75 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.5 tp -139.08 138.8 37.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -137.13 131.92 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 58' ' ' GLY . 53.4 t -134.94 154.35 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' ' CG1' ' A' ' 57' ' ' VAL . . . 153.13 -151.0 22.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.0 mt -119.59 160.81 21.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.857 0.36 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -60.07 131.02 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.11 -55.9 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -57.2 162.24 4.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.66 23.82 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 t -63.55 -38.87 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.45 116.43 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -151.1 108.32 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 146.1 5.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -53.47 133.6 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.4 mt -71.5 142.3 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -49.2 -55.68 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -128.22 174.7 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -71.14 151.61 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' VAL . 31.1 m -143.58 127.32 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -46.98 89.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -64.92 -37.29 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.474 ' N ' HG11 ' A' ' 76' ' ' VAL . 12.8 mm-40 -57.91 -22.09 46.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.89 -32.21 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -47.08 150.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -165.84 173.53 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.445 ' CG ' HG12 ' A' ' 48' ' ' VAL . 40.2 p-90 -146.63 170.15 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 pp -162.17 140.56 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -78.92 123.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.6 mm-40 -99.13 143.8 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 41.3 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 48.57 17.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.478 ' CD ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.51 -18.2 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.478 HG23 ' CD ' ' A' ' 87' ' ' LYS . 61.9 t -122.24 157.54 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.455 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 54.4 t -126.65 98.67 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.5 p -90.69 141.59 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.443 HG21 ' CB ' ' A' ' 81' ' ' TRP . 22.2 t -133.3 120.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -88.83 131.56 35.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.9 mt -119.74 116.7 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -83.66 118.82 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' CE ' ' CD1' ' A' ' 102' ' ' TRP . 72.8 mttt -75.38 120.11 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -44.53 -39.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -118.52 114.32 22.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -68.62 -9.46 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 11.8 mmt -105.84 36.23 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.0 tp10 -137.16 146.53 45.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 50.5 m95 -105.7 168.82 8.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.432 ' CD1' ' CE ' ' A' ' 95' ' ' LYS . 8.0 m95 -122.57 146.7 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -100.27 -16.87 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -174.76 156.88 2.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 56.1 tp -62.4 -54.06 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -133.52 179.17 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.8 p -83.99 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.5 t -122.76 -45.61 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.38 161.99 65.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.56 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.88 165.47 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.45 -135.39 8.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.7 121.91 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.19 111.45 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.491 HD11 ' CE1' ' A' ' 20' ' ' TYR . 5.0 mt -113.29 153.28 45.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -89.75 -34.77 16.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' A' ' 17' ' ' LEU . 2.5 p90 -169.06 161.17 10.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -120.54 131.03 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.513 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.7 p-90 -138.1 144.61 40.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.3 p -117.75 176.08 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.456 ' NE2' HD12 ' A' ' 112' ' ' ILE . 26.1 pt20 -152.27 139.44 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.9 p -136.11 177.65 7.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 31.6 mt -80.95 17.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.96 -44.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -168.64 -179.66 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 24' ' ' GLN . 1.3 tp -111.0 158.71 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -140.04 115.0 9.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tp -112.43 140.8 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.84 119.68 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.054 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.3 t -112.45 100.04 48.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.99 8.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -111.42 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -67.06 72.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m -115.64 148.58 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -109.43 26.42 10.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.4 -177.99 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -87.21 127.98 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.5 mt -84.34 139.44 32.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -104.77 146.96 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.61 -36.65 4.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -76.43 -36.27 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.04 -39.46 72.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG2' ' CH2' ' A' ' 81' ' ' TRP . 30.1 m -95.48 164.36 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.44 108.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -127.69 120.7 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.77 103.91 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.2 mt -94.52 128.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -130.87 179.55 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -62.75 -52.72 62.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 -126.0 34.5 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -158.13 142.87 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.7 tp -141.1 148.26 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.413 ' C ' HG21 ' A' ' 57' ' ' VAL . 17.8 ttm180 -140.19 143.38 36.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG21 ' C ' ' A' ' 56' ' ' ARG . 77.3 t -148.31 139.7 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.78 -167.84 40.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 60' ' ' LYS . 19.1 mt -117.05 137.87 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -33.53 132.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.475 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 76.09 -56.37 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -57.22 162.38 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.96 61.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 66' ' ' VAL . 10.4 p -48.37 -29.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' N ' HG13 ' A' ' 65' ' ' VAL . 42.0 t -130.78 115.9 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 5.8 p-10 -153.16 106.41 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.39 147.71 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -54.71 131.95 44.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.33 148.04 50.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.01 -40.07 72.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -142.47 -178.69 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.7 154.34 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' VAL . 18.8 m -146.81 123.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' N ' HD11 ' A' ' 96' ' ' ILE . 30.7 tttt -46.28 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.6 p -70.57 -38.18 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.2 -21.89 60.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -106.03 -38.8 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -46.22 155.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.6 p -172.48 141.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.485 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 51.6 p-90 -111.72 171.73 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 pp -158.78 168.76 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.474 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 72.3 mt -100.55 127.3 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -105.0 124.76 50.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 45.32 34.32 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.474 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.36 29.44 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 11.6 ptmt -131.33 -29.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 89' ' ' VAL . 22.7 t -122.93 156.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.473 ' N ' HG11 ' A' ' 88' ' ' VAL . 94.1 t -123.0 98.96 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -86.84 143.21 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -130.09 107.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.95 116.49 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.5 mt -111.08 121.98 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.93 118.88 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.41 116.63 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 75' ' ' LYS . 40.1 mm -44.25 -38.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -120.36 107.13 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' LEU . 17.6 mmtp -59.33 -33.06 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 7.8 mmt -84.63 29.69 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.25 137.55 52.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.569 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 60.1 m95 -102.8 167.61 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.403 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 8.8 m0 -124.0 140.14 53.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.32 -17.22 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -172.24 167.11 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 57.2 tp -69.74 -52.61 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.63 -176.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.2 p -83.95 25.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -125.45 -35.7 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.77 155.01 94.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.566 0.698 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.1 52.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.298 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.65 155.88 36.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.456 HD12 ' NE2' ' A' ' 24' ' ' GLN . 5.5 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.29 -150.45 25.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.93 120.81 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.5 110.28 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.552 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -111.88 152.87 44.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.11 31.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -87.77 -34.56 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.552 ' CE1' HD12 ' A' ' 17' ' ' LEU . 5.8 p90 -172.38 159.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -116.65 134.41 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.49 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 30.7 p-90 -139.92 135.39 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -118.54 140.97 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.3 pt20 -116.24 137.13 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.3 p -135.36 144.62 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.515 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.7 mt -37.81 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.3 -65.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.35 176.6 11.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -112.92 127.58 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.98 117.09 31.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 6.3 tp -104.43 150.82 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.23 115.18 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG13 ' CG1' ' A' ' 65' ' ' VAL . 59.8 t -116.4 105.55 50.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 111.082 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 122.73 9.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.512 ' CD2' HD21 ' A' ' 59' ' ' LEU . 3.3 m-30 -99.11 113.33 25.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -61.65 82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.1 m -140.87 154.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -111.83 24.28 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.92 -174.96 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -92.73 124.96 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 35' ' ' PHE . 34.9 mt -76.96 155.01 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 24.3 mmtt -119.67 133.55 55.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.81 -35.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -74.97 -38.68 61.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 42' ' ' LYS . 83.3 m-20 -59.15 -40.45 85.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -92.76 148.65 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.6 t -124.23 97.79 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 81' ' ' TRP . 43.0 t -115.36 99.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.68 117.41 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.1 mt -107.64 115.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -113.34 -177.27 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -63.23 -56.21 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -123.69 36.22 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -159.3 142.79 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 tp -144.61 144.98 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -139.28 145.63 39.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 58' ' ' GLY . 83.3 t -146.15 140.08 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.449 ' N ' HG11 ' A' ' 57' ' ' VAL . . . 152.79 166.89 14.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' A' ' 35' ' ' PHE . 4.4 mm? -75.64 135.38 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' LEU . 1.4 tmtp? -34.29 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.76 57.14 4.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 mt-30 -168.36 166.41 7.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 62' ' ' GLN . 53.7 Cg_endo -69.73 137.0 34.49 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 66' ' ' VAL . 7.2 p -55.75 -29.7 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.473 ' N ' HG13 ' A' ' 65' ' ' VAL . 47.9 t -127.47 111.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.96 109.18 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.06 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.79 132.33 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.61 148.31 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -55.7 -50.64 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -137.34 -178.55 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -72.13 140.73 49.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 76' ' ' VAL . 18.8 m -134.41 120.99 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -42.09 93.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -68.77 -40.41 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' N ' HG11 ' A' ' 76' ' ' VAL . 28.5 mm-40 -58.16 -21.65 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' OE1' ' A' ' 94' ' ' GLU . 18.1 mm-40 -106.25 -33.44 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 m -48.12 155.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -174.5 151.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.484 ' CD1' HG11 ' A' ' 48' ' ' VAL . 58.2 p-90 -123.89 171.61 9.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.29 144.71 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 mt -85.81 113.54 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.67 133.37 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.435 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 31.2 t0 56.3 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 19.5 0.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.435 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 9.4 ptpt -131.7 -28.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.24 146.08 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.66 102.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.8 p -95.58 127.34 41.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.21 120.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.7 t60 -91.33 113.73 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.5 mt -105.86 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 2.3 tt0 -83.34 125.13 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' ILE . 73.6 mttt -81.79 113.58 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' LYS . 17.8 mm -34.09 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' LYS . 44.3 t30 -124.58 126.56 46.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -75.41 -14.2 60.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.3 mmt -100.74 35.82 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 2.3 tp10 -135.48 145.17 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.515 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 44.4 m95 -106.34 165.76 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.493 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.2 m95 -120.67 141.08 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -94.12 -19.65 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -175.1 156.01 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.3 -65.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 m -128.35 150.28 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.0 p -42.01 -29.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 t -71.04 -45.22 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.97 156.04 39.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.47 67.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.02 148.93 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.4 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 28.9 m-80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.52 -147.76 20.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.12 121.22 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.79 109.73 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -111.12 150.82 42.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -20.09 35.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -89.79 -32.75 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.573 ' CD1' HD11 ' A' ' 17' ' ' LEU . 5.1 p90 -174.45 153.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -110.24 136.31 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.503 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 48.2 p-90 -142.85 137.44 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -122.43 147.86 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 8.0 pt20 -124.57 127.41 47.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.6 p -125.23 143.73 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -37.09 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.97 -67.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' CD ' ' HB2' ' A' ' 27' ' ' ALA . 2.0 pm0 -150.58 177.41 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -111.17 140.51 45.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.64 117.24 24.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 32' ' ' ALA . 6.1 tp -105.33 148.12 27.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.403 ' N ' ' CD1' ' A' ' 31' ' ' LEU . . . -142.21 112.73 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.6 t -109.42 103.71 53.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.735 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 121.96 8.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 26.3 m-85 -107.29 111.8 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -60.71 76.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' PHE . 33.6 m -123.23 149.61 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -109.32 25.97 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -145.96 -176.8 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -90.92 128.06 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.63 150.52 25.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.2 mmtp -122.82 140.12 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.45 -38.88 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 45' ' ' ASP . 1.6 pptp? -75.14 -36.52 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 26.5 t0 -60.17 -38.67 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' CD2' ' A' ' 59' ' ' LEU . 34.9 m -96.24 152.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' NH2' ' A' ' 56' ' ' ARG . 53.3 t -119.4 113.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 81' ' ' TRP . 77.0 t -131.12 120.32 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.25 104.3 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.5 mt -93.42 131.61 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -128.15 178.19 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.76 -52.04 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -125.54 34.97 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -161.23 149.9 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 tp -146.59 147.25 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' NH2' ' CG1' ' A' ' 47' ' ' VAL . 33.3 ttp180 -139.12 136.74 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 58' ' ' GLY . 84.1 t -140.1 137.32 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.441 ' N ' HG11 ' A' ' 57' ' ' VAL . . . 176.67 -155.99 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 60' ' ' LYS . 36.8 mt -129.98 145.9 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 2.5 tmtp? -33.62 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.51 60.46 4.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -177.33 155.35 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.42 67.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 HG21 ' CE1' ' A' ' 35' ' ' PHE . 59.2 t -54.31 -38.44 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG22 ' CE2' ' A' ' 20' ' ' TYR . 82.7 t -117.62 109.86 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -139.96 111.58 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 174.17 151.63 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.98 133.44 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -49.89 -53.2 27.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -131.25 -175.04 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -78.61 142.6 37.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 76' ' ' VAL . 21.2 m -135.18 123.21 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -44.46 95.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 77' ' ' GLU . 6.5 p -72.53 -40.25 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' VAL . 14.1 mt-10 -57.04 -21.09 28.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -107.46 -39.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 m -47.26 152.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.6 p -168.25 147.01 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.435 ' CD1' HG13 ' A' ' 48' ' ' VAL . 41.1 p-90 -112.3 170.76 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 1.9 pp -158.93 143.16 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 42.8 mt -78.52 128.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -107.27 124.51 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 47.91 30.62 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 42.52 28.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -131.24 -28.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 t -123.97 149.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.42 99.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -88.1 139.01 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.8 t -129.16 111.46 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -81.11 116.98 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.8 mt -110.67 116.46 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -83.16 124.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ILE . 74.7 mttt -79.41 111.03 15.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.3 mm -33.67 -36.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' LYS . 48.6 m-80 -125.29 121.62 34.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 36.6 mmtt -73.99 -17.06 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.6 mmt -97.35 32.04 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.96 142.2 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . 0.552 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 57.5 m95 -101.1 174.31 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.475 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.4 m0 -125.89 148.15 49.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -96.57 -20.88 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.422 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 13.7 ptt-85 -174.83 165.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 22' ' ' TRP . 53.6 tp -67.5 -56.82 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.2 m -137.16 151.3 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.8 p -46.36 -40.33 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.1 m -60.7 -31.97 71.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.12 161.46 73.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.52 18.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.84 146.22 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.441 HD13 ' NE2' ' A' ' 24' ' ' GLN . 6.9 pt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -93.79 177.03 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -105.21 128.77 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 -92.93 0.49 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -111.6 99.65 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -65.21 -40.29 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.0 112.2 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 144.7 30.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -107.58 176.49 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -44.84 -34.36 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -93.01 37.29 3.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.3 m-80 36.9 31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.383 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -96.31 -148.58 24.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.04 128.37 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -89.45 102.89 15.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 HD13 ' CE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -97.8 152.68 38.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -15.63 37.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.86 -26.98 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' CE1' HD13 ' A' ' 17' ' ' LEU . 19.6 p90 -174.32 170.03 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.01 142.12 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.52 ' CD2' HD21 ' A' ' 105' ' ' LEU . 51.6 p-90 -148.94 148.74 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -120.63 157.51 29.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.0 pt20 -142.2 134.69 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 p -137.14 174.08 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' NE1' ' A' ' 101' ' ' TRP . 12.0 mt -63.9 -11.59 29.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' HB1' ' CD ' ' A' ' 28' ' ' GLU . . . -94.16 -69.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' CD ' ' HB1' ' A' ' 27' ' ' ALA . 1.3 pm0 -150.87 174.19 13.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -112.75 153.25 28.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.2 t70 -136.15 139.95 43.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tp -125.28 142.91 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.08 107.2 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -102.91 98.11 10.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.438 ' CD1' HD13 ' A' ' 59' ' ' LEU . 52.5 m-85 -105.97 129.05 54.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -71.48 72.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 m -119.27 158.53 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -116.89 6.63 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -127.44 -176.34 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -89.31 129.26 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.7 mt -86.04 137.33 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -105.84 143.54 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.03 -27.97 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -83.41 -37.4 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.63 -38.73 75.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -96.33 159.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -129.62 97.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG13 ' CD1' ' A' ' 81' ' ' TRP . 70.8 t -115.6 106.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.83 118.31 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.9 mt -110.4 128.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -130.22 -177.98 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -55.13 -63.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.0 ttm180 -121.5 29.47 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -146.05 134.99 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.7 tp -137.79 141.74 40.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -139.42 140.03 37.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.4 t -145.5 142.52 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.26 -151.93 14.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 35' ' ' PHE . 3.6 mt -130.95 140.5 50.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -44.24 131.42 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.29 -53.98 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.433 ' NE2' ' HD2' ' A' ' 63' ' ' PRO . 4.4 mm100 -66.73 163.08 45.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' NE2' ' A' ' 62' ' ' GLN . 53.2 Cg_endo -69.73 144.08 53.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.69 5.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.62 -40.08 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.19 113.53 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.75 105.52 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.17 163.08 27.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.22 143.88 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.45 147.03 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' HB3' ' CE3' ' A' ' 102' ' ' TRP . 24.5 t80 -50.48 -41.53 53.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.408 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 3.3 t30 -147.78 174.83 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 12.1 mt-10 -67.51 142.59 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 76' ' ' VAL . 23.9 m -135.24 121.07 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -43.91 91.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.9 p -66.97 -42.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' N ' HG11 ' A' ' 76' ' ' VAL . 5.7 mt-10 -54.64 -14.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.11 -36.83 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.7 m -45.39 154.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 m -169.52 156.34 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.56 ' CD1' HG13 ' A' ' 48' ' ' VAL . 57.5 p-90 -131.09 164.2 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -151.7 156.28 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 35.2 mt -90.81 130.88 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -105.52 126.18 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 48.14 27.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 49.1 24.28 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -127.13 -33.17 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 89' ' ' VAL . 71.1 t -116.39 159.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' N ' HG13 ' A' ' 88' ' ' VAL . 38.9 t -125.4 99.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -85.62 141.15 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.449 HG21 ' CB ' ' A' ' 81' ' ' TRP . 59.3 t -131.67 119.12 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -90.13 131.11 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.9 mt -120.94 116.06 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.438 ' OE1' ' C ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -83.42 122.83 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ASN . 63.2 mttt -78.07 112.28 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 95' ' ' LYS . 33.6 mm -37.11 -30.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LYS . 58.2 m-20 -133.25 123.0 24.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.44 3.25 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 91.0 mmm -112.58 28.39 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -128.25 143.85 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.595 ' NE1' ' CD2' ' A' ' 26' ' ' LEU . 43.0 m95 -114.34 142.21 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 71' ' ' TYR . 11.1 m95 -97.18 152.35 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -110.03 -10.43 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -175.3 162.7 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.52 HD21 ' CD2' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -63.4 -59.44 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.52 -177.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.7 p -82.09 12.58 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.6 t -107.63 -38.82 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.58 160.79 76.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 166.78 26.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -98.11 168.67 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 114' ' ' THR . 1.2 pt -136.56 138.9 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.65 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 112' ' ' ILE . 41.2 p -55.39 -45.11 76.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -92.18 155.43 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.4 p -154.21 152.94 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 125.83 150.79 7.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -13.3 34.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.324 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.3 p -55.72 143.61 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -66.62 -44.25 82.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.553 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -59.13 159.44 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -138.19 114.59 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.67 169.31 23.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -97.65 -48.79 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -97.12 108.71 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.12 168.81 28.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -119.3 152.38 52.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -129.44 174.72 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.87 -47.22 21.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -80.22 39.64 2.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' GLY . 56.4 m-80 36.38 38.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.14 -147.65 13.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.28 121.01 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -82.55 109.44 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -112.99 150.99 43.75 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.81 30.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.98 -34.83 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.1 p90 -171.18 155.42 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -115.12 135.6 54.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.449 ' CH2' ' HA ' ' A' ' 104' ' ' ARG . 45.9 p-90 -143.07 139.14 30.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -120.05 149.02 42.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.3 pt20 -128.63 137.89 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ALA . 54.6 p -137.24 148.44 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 54.6 mt -40.49 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -82.65 -67.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.9 176.68 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.3 tt -112.79 167.0 10.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -149.77 143.66 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.19 141.74 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.96 105.7 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.41 96.39 7.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 121.97 8.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 59' ' ' LEU . 54.5 m-85 -105.26 124.64 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -69.07 70.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.6 m -114.64 147.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 18.31 21.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -140.2 -178.89 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -83.08 133.0 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.1 mt -87.2 135.72 33.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' ASP . 64.2 mmtt -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.2 -33.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -78.14 -34.75 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' LYS . 25.0 t0 -59.79 -42.16 92.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -92.81 158.31 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.94 103.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.2 t -122.77 114.24 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -109.06 107.2 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mt -97.73 128.27 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -127.66 -175.95 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.68 -52.75 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.4 32.65 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.0 t-80 -153.49 139.52 18.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.3 tp -143.31 141.54 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 12.0 ttm180 -139.51 146.35 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 56' ' ' ARG . 95.7 t -146.72 142.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.87 -150.3 12.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 35' ' ' PHE . 7.5 mt -135.81 136.86 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -39.9 136.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.15 -49.57 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.11 160.52 82.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.5 t -116.17 113.28 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -144.66 106.45 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.93 150.4 9.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.39 140.79 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 54' ' ' HIS . 41.4 mt -75.59 140.23 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -49.61 -44.2 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -143.31 168.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.44 145.11 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 76' ' ' VAL . 23.0 m -136.36 123.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -43.74 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.8 p -69.12 -37.53 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 76' ' ' VAL . 18.9 mt-10 -55.77 -22.38 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -109.4 -36.74 5.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -44.88 156.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -174.37 169.62 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -140.92 166.84 23.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -157.8 162.11 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.478 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 55.6 mt -92.4 138.94 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.0 109.82 19.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.1 26.73 10.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 50.72 25.82 9.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -131.43 -43.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.3 t -103.49 159.46 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -127.41 99.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 p -85.91 140.54 30.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.5 t -129.01 113.79 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.7 123.5 31.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.6 mt -113.94 117.99 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.56 119.86 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -78.19 120.39 22.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.5 mm -45.64 -43.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.69 111.34 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -68.08 -3.79 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 87.6 mmm -116.19 34.02 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -131.87 145.24 51.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.484 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 59.5 m95 -103.43 162.41 13.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.491 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.3 m0 -118.08 143.39 46.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 32.4 t30 -91.62 -21.95 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.449 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 16.8 ptt180 -175.04 160.59 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.32 -58.84 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.5 m -133.9 150.55 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.5 p -46.52 -28.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -66.68 -48.58 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.86 161.32 15.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.17 46.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.455 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 2.6 mp0 -95.19 156.84 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.6 pt -133.72 128.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -46.02 117.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 34.6 p -102.71 143.84 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -153.12 134.27 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.5 p -144.99 120.63 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -121.41 89.11 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 p -166.09 158.17 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -112.05 148.87 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -103.85 -59.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -110.04 42.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.25 54.47 4.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t 55.95 41.76 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -112.04 142.11 44.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.37 77.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.19 152.17 75.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.91 36.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.4 -75.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.12 -29.87 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -124.45 67.43 0.51 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' GLY . 26.3 m-80 34.46 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -93.42 -133.78 6.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB2' ' CZ2' ' A' ' 22' ' ' TRP . . . -149.54 120.19 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.86 101.84 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.522 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 1.5 mt -108.72 153.69 42.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -22.39 32.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -89.9 -33.22 16.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 3.4 p90 -173.08 156.24 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.74 139.88 50.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.503 ' CZ2' ' HB2' ' A' ' 15' ' ' ALA . 67.6 p-90 -137.88 150.65 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.1 p -122.94 156.88 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -135.21 135.41 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.5 p -134.61 141.55 46.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.4 mt -37.19 -28.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -64.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.76 175.06 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.437 HD22 ' N ' ' A' ' 30' ' ' ASP . 1.6 tt -111.07 167.24 10.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' N ' HD22 ' A' ' 29' ' ' LEU . 12.4 t70 -149.9 149.95 31.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tp -136.98 147.36 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.88 112.83 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -110.06 103.82 54.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.707 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.39 12.1 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -111.68 116.86 31.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -63.46 80.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.0 m -125.06 145.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -103.24 21.74 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -146.04 -175.43 4.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -92.05 121.96 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.8 mt -72.07 155.82 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.4 mmpt? -123.6 142.94 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.2 -38.77 3.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.58 56.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.737 0.304 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 19.7 t0 -64.64 -40.58 95.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 34.8 m -93.49 156.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.9 t -125.83 107.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.4 t -123.67 113.71 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.49 110.75 21.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.428 HD13 ' CG1' ' A' ' 91' ' ' VAL . 70.5 mt -104.35 128.57 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -128.08 -178.99 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.85 -52.15 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -127.76 33.73 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.33 139.4 15.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.5 tp -138.93 141.69 38.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -140.01 138.95 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 58' ' ' GLY . 89.3 t -143.73 142.65 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.415 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 171.09 -149.04 11.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.1 mt -132.91 147.59 52.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -48.32 133.38 15.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.8 -49.89 2.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.49 161.05 68.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.51 57.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.619 2.212 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 119.93 6.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.32 -38.54 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.4 119.29 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -151.51 115.55 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.53 154.73 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -66.41 131.66 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.31 138.87 57.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -50.73 -44.02 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -139.28 171.2 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.88 155.82 32.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' VAL . 27.6 m -149.72 121.69 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -46.04 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 77' ' ' GLU . 7.5 p -69.31 -40.42 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.471 ' N ' HG13 ' A' ' 76' ' ' VAL . 18.9 mt-10 -55.33 -21.54 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -105.74 -39.57 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 m -45.22 147.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -163.56 149.6 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.428 ' CZ3' HG22 ' A' ' 46' ' ' VAL . 39.4 p-90 -118.63 175.32 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -163.38 151.08 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 88.3 mt -85.05 129.11 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.34 122.08 45.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 46.63 35.45 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.64 32.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.441 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -134.36 -31.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 HG11 ' N ' ' A' ' 89' ' ' VAL . 36.6 t -121.25 154.92 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.482 ' N ' HG11 ' A' ' 88' ' ' VAL . 78.5 t -120.35 100.57 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.8 p -89.53 139.15 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 50' ' ' ILE . 46.6 t -130.15 118.5 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 130.85 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.1 mt -118.86 119.64 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 123.42 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 66.8 mttt -81.36 108.53 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 95' ' ' LYS . 37.2 mm -35.25 -40.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' ND2' HG22 ' A' ' 96' ' ' ILE . 5.6 m-80 -120.44 120.13 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.73 -22.59 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.0 mmt -93.02 32.29 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -133.73 145.52 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.509 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 55.6 m95 -107.68 172.05 7.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -126.25 141.19 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.462 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 0.4 OUTLIER -93.98 -15.89 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -175.06 166.34 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.11 -50.91 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 109' ' ' ASP . 9.9 m -150.81 144.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' VAL . 61.8 p -33.35 -39.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.9 t -61.3 -51.18 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' VAL . 9.4 m-20 -60.61 160.98 15.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.462 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 1.9 mp0 -95.57 145.14 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.6 pt -120.2 133.22 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -56.23 121.7 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.9 p -100.31 113.87 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -106.85 100.46 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.3 p -68.92 125.3 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -146.36 81.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 98.69 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 t -80.31 98.0 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.5 t -67.31 113.01 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -106.17 103.54 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -85.61 42.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.7 66.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -86.1 110.77 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -151.95 143.99 23.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.58 95.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -129.7 148.09 68.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 138.65 38.44 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -106.54 -178.9 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mp -51.81 -44.44 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -79.69 41.5 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 12' ' ' GLY . 67.8 m-80 35.28 33.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -104.17 -143.08 12.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.45 120.12 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.73 0.3 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.02 107.44 13.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -108.39 151.3 41.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.99 35.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -90.8 -31.99 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 17' ' ' LEU . 5.4 p90 -174.43 158.1 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -114.45 132.56 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.9 p-90 -139.34 136.89 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -120.57 153.68 36.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 10.8 pt20 -132.12 133.69 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -131.21 -177.17 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 27.8 mt -82.05 16.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.0 -48.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -164.53 174.52 10.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.605 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.4 tt -114.0 123.24 49.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.22 137.52 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.8 tp -134.76 134.23 40.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.14 116.27 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.4 t -110.25 98.81 37.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.675 0.75 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 123.42 10.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -106.85 139.95 40.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -79.85 49.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 26.1 m -90.74 152.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -115.47 18.53 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -145.16 -179.35 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -79.27 115.15 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 25.9 mt -67.79 137.62 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -111.98 139.54 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.13 -38.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -72.31 -38.65 68.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.54 -40.76 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -93.93 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -120.15 101.78 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.506 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 54.6 t -119.37 114.15 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -110.32 115.12 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.0 mt -105.42 132.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -130.82 176.25 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -57.14 -50.53 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -130.55 38.38 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -161.11 136.6 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.2 tp -134.54 144.45 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -137.37 138.42 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -144.59 143.56 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.91 -153.0 21.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 mt -131.78 138.73 48.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 1.2 tmtp? -40.54 126.99 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.472 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 84.03 -54.05 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.37 163.0 15.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.1 55.93 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 112.39 3.07 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 66' ' ' VAL . 10.8 p -63.73 -30.66 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' N ' HG12 ' A' ' 65' ' ' VAL . 48.2 t -128.91 112.65 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -148.69 105.35 3.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.56 161.27 30.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -72.5 126.61 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.06 131.36 49.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.64 -36.32 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -143.96 -179.4 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.43 146.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' VAL . 19.9 m -138.88 122.67 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -43.11 95.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.0 p -73.04 -40.83 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -57.59 -21.51 39.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -106.22 -39.49 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -47.04 152.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.5 p -170.4 147.3 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CE2' ' HB ' ' A' ' 48' ' ' VAL . 66.2 p-90 -119.92 164.11 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 83' ' ' ILE . 1.2 pp -144.72 168.82 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.475 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 63.5 mt -102.23 117.91 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.22 129.06 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' LYS . 47.5 m-20 40.1 34.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.28 24.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' ASP . 2.0 ptpp? -127.09 -18.64 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 89' ' ' VAL . 7.6 t -135.16 146.51 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.405 ' N ' HG13 ' A' ' 88' ' ' VAL . 55.5 t -114.72 98.77 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -86.82 138.4 31.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.4 t -127.13 120.48 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -90.09 118.51 29.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.7 mt -111.54 115.96 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.52 115.46 22.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.72 114.39 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -40.17 -34.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -124.8 111.48 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 29.3 mmtp -62.74 -32.01 73.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 32.0 mmt -86.39 28.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.23 141.31 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.564 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 48.7 m95 -106.94 154.81 20.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 9.1 m0 -112.27 148.78 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.42 -16.07 16.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -174.71 162.76 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.9 tp -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.45 146.4 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.2 p -39.53 -41.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -55.21 -47.22 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.62 161.31 71.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.13 66.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.86 144.54 25.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.3 pt -120.98 140.06 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -53.84 141.02 28.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.4 p -127.9 149.28 50.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -147.36 132.02 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 t -115.66 131.18 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.08 139.75 9.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.86 4.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 t -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.1 p -135.28 123.16 22.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -69.96 131.08 43.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -109.09 92.34 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.72 77.01 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -109.49 146.93 33.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -139.23 152.3 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 105.82 3.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -115.07 153.14 47.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 53.8 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 168.18 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp -46.17 -38.62 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.96 35.9 2.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 56.3 m-80 41.47 34.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.02 -148.97 18.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.53 120.85 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.75 105.89 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -109.39 152.81 42.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -24.86 29.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -85.98 -35.89 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD1' HD11 ' A' ' 17' ' ' LEU . 7.3 p90 -170.62 152.16 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -114.98 135.92 53.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 42.1 p-90 -141.47 138.08 32.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -119.09 147.78 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 4.1 pt20 -122.93 139.95 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 30.7 p -137.95 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.5 mt -37.3 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -67.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 27' ' ' ALA . 1.3 pm0 -150.28 177.78 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -146.6 132.62 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -123.49 133.4 54.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -126.12 119.4 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.513 ' CG1' ' CZ ' ' A' ' 35' ' ' PHE . 78.7 t -114.44 95.99 41.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 126.34 13.24 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.66 ' CE1' ' CD2' ' A' ' 59' ' ' LEU . 97.0 m-85 -115.68 115.18 25.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -60.84 78.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' PHE . 23.6 m -121.25 148.3 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -105.24 10.81 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -130.96 -178.04 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -85.88 132.84 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.4 mt -87.63 130.86 34.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ASP . 26.5 mmmt -108.88 135.79 49.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.45 -33.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -38.15 59.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' LYS . 63.2 m-20 -57.01 -38.14 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.1 m -102.33 167.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.32 106.54 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.462 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 74.0 t -122.6 113.91 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -106.66 117.48 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.55 128.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -126.2 -176.97 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -59.73 -53.34 59.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.2 ttm180 -129.98 28.01 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -147.04 135.25 21.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.3 tp -135.43 140.37 44.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -136.49 135.03 38.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 62.7 t -139.51 140.41 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.89 155.43 9.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.66 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -70.66 132.06 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LEU . 6.3 tmtm? -31.61 -72.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.74 58.42 4.21 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -175.3 165.1 2.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.44 69.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 109.07 2.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.98 -31.5 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -128.11 107.76 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -133.33 102.85 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -173.68 160.83 31.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -82.36 125.52 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.39 146.4 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -64.5 -35.48 81.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -140.66 170.34 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 7.8 mt-10 -70.13 146.05 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 76' ' ' VAL . 10.3 m -139.26 126.04 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -49.23 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.4 p -67.16 -42.92 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.433 ' N ' HG11 ' A' ' 76' ' ' VAL . 14.9 mt-10 -53.12 -19.03 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.23 -31.7 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -52.18 153.48 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -171.84 150.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.475 ' CE3' HG13 ' A' ' 89' ' ' VAL . 50.0 p-90 -124.08 158.03 33.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 pp -144.37 154.02 42.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 21.9 mt -91.65 117.69 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.96 133.56 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.429 ' HB3' ' CD ' ' A' ' 87' ' ' LYS . 2.7 t70 43.48 35.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.3 24.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.429 ' CD ' ' HB3' ' A' ' 85' ' ' ASP . 4.8 ptmt -126.74 -34.71 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.9 t -115.77 158.32 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG13 ' CE3' ' A' ' 81' ' ' TRP . 60.2 t -127.56 93.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.2 p -80.17 139.04 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.12 114.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -85.76 123.23 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.9 mt -115.13 114.24 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.42 125.0 31.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -83.67 121.84 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.459 HG23 ' ND2' ' A' ' 97' ' ' ASN . 41.2 mm -44.12 -36.47 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' ND2' HG23 ' A' ' 96' ' ' ILE . 4.6 m-80 -120.75 121.66 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.89 -9.63 58.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 mmt -106.76 35.86 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -129.93 143.2 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.518 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 33.7 m95 -111.05 144.26 40.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.432 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 13.8 m0 -104.72 158.12 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -119.48 -8.16 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -171.73 138.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.0 tp -52.26 -62.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.96 -177.66 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.6 p -76.51 -19.88 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.2 m -87.59 -5.06 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -103.33 158.17 32.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.92 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 111' ' ' GLU . 4.1 mp0 -108.26 166.01 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 pt -139.24 124.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -49.53 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.6 p -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -65.04 -57.91 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.2 m 62.3 42.12 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.01 179.1 27.76 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 156.07 64.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -106.35 90.99 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m 52.33 43.56 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -94.48 105.87 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -77.82 121.44 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.92 149.2 5.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -125.73 -50.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -56.19 -44.14 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.28 149.63 21.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -130.64 151.01 78.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 179.71 3.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.315 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -142.0 -175.1 4.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.4 mt -76.54 48.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.96 32.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 46.54 40.06 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.24 -139.78 5.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.48 120.22 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.45 107.6 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.518 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -106.53 151.87 40.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.35 37.07 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -92.84 -30.81 15.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.518 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 4.3 p90 -174.19 160.26 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -117.89 127.5 53.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 19.5 p-90 -135.04 135.42 41.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.4 p -118.05 159.58 22.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.7 pt20 -135.79 135.65 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ALA . 56.6 p -133.89 144.46 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.4 mt -36.16 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.24 -67.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.81 175.99 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.577 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -113.25 138.16 50.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -114.86 155.95 25.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 tp -146.86 143.83 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' HB1' ' NH1' ' A' ' 21' ' ' ARG . . . -142.24 108.38 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.0 t -104.94 103.59 42.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.099 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.94 8.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' VAL . 27.0 m-85 -106.22 113.14 26.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -62.84 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' PHE . 27.9 m -127.08 148.52 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -105.0 22.6 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -146.47 -175.26 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -89.48 129.85 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.62 131.56 34.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ASP . 23.5 mmmt -98.97 139.8 34.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.2 -39.04 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -70.9 -38.1 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.7 m-20 -58.04 -41.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -93.02 154.14 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.68 106.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.2 t -122.13 113.38 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -106.12 112.94 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.3 mt -106.83 118.21 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -121.09 176.57 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -57.23 -51.02 71.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 ttp-105 -131.28 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.457 ' N ' HD13 ' A' ' 70' ' ' LEU . 2.2 t-160 -162.27 125.4 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.4 tp -124.28 141.92 51.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' C ' HG22 ' A' ' 57' ' ' VAL . 30.7 ttt180 -140.18 142.44 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 56' ' ' ARG . 98.1 t -148.69 142.28 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 171.09 -152.11 17.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -132.2 141.55 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -40.93 135.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 -57.95 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.33 161.71 17.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.08 52.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.62 3.13 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.411 HG22 ' CE2' ' A' ' 20' ' ' TYR . 9.9 p -55.62 -33.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.1 t -129.23 118.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -154.73 117.46 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.12 160.22 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -64.3 133.03 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 HD13 ' N ' ' A' ' 54' ' ' HIS . 28.3 mt -71.88 133.74 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -42.4 -48.03 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -138.93 178.49 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -68.7 152.02 45.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' VAL . 22.8 m -146.72 121.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -43.51 95.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 77' ' ' GLU . 7.5 p -73.98 -37.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.467 ' N ' HG13 ' A' ' 76' ' ' VAL . 6.8 mm-40 -59.43 -23.82 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -105.17 -39.44 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -49.71 153.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -168.13 173.46 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -141.34 171.54 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 pp -158.93 146.01 17.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.475 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 50.3 mt -81.68 125.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -101.72 128.09 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.7 m-20 42.57 37.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.56 27.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' ASP . 9.5 ptpt -128.8 -27.82 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.9 t -125.4 158.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.38 100.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.2 p -87.1 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.42 116.07 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 2.1 t60 -89.06 123.2 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 mt -112.62 117.41 32.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.29 124.64 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.4 mttt -83.19 109.1 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' LYS . 35.9 mm -33.89 -43.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -116.89 116.38 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 27.3 mmtp -69.06 -18.26 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.5 mmt -95.98 32.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -136.18 144.27 44.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.521 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 64.8 m95 -100.97 176.64 5.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 5.7 m95 -130.49 138.34 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -86.75 -24.41 25.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.442 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 31.1 ptt180 -174.91 170.28 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.6 tp -72.91 -58.36 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 109' ' ' ASP . 6.6 m -133.75 145.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.1 p -39.32 -41.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.5 t -56.27 -41.93 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 106' ' ' VAL . 1.1 m-20 -65.58 159.87 64.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.83 20.32 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.16 150.58 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.411 HD11 ' NE2' ' A' ' 24' ' ' GLN . 15.6 pt -133.77 136.09 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -54.56 119.45 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.7 p -110.52 129.18 55.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.32 153.03 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.8 t -132.83 124.48 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.42 144.33 15.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.8 Cg_endo -69.8 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 118' ' ' PRO . 2.9 t -33.5 134.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' SER . 26.6 t -36.66 124.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -135.66 157.54 46.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -70.23 170.13 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 -45.17 45.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -112.56 86.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -57.08 -48.93 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.61 124.53 6.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -101.92 140.28 21.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 97.99 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.742 2.294 . . . . 0.0 112.342 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -65.57 -174.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.55 43.61 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.31 32.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.34 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.18 -141.1 5.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.07 122.81 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.92 101.14 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD13 ' CD1' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -99.93 151.85 37.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.887 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.83 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -89.56 -33.07 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CD1' HD13 ' A' ' 17' ' ' LEU . 3.3 p90 -170.4 162.15 8.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -120.08 130.71 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -139.73 138.56 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.7 p -117.86 172.02 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.2 pt20 -151.56 138.64 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 45.7 p -136.5 -175.94 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.7 mt -82.47 23.44 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 -47.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -167.06 173.81 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -110.96 135.89 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -111.94 135.65 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 tp -133.54 141.31 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.66 112.62 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 94.3 t -102.62 98.78 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.76 127.21 14.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -112.43 152.39 28.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -92.61 46.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.1 m -90.05 147.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 18.99 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.37 -175.15 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -87.44 129.24 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.2 mt -90.06 130.43 36.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.5 mmmt -100.53 144.37 29.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.93 -37.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -75.03 -37.98 61.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' LYS . 3.1 m-20 -57.4 -41.0 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.7 m -92.42 167.39 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG22 ' CA ' ' A' ' 60' ' ' LYS . 88.3 t -136.52 111.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.7 t -129.39 119.56 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -109.22 109.24 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 78.3 mt -100.56 118.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -122.38 173.48 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -55.66 -55.68 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -124.59 39.17 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -161.66 137.4 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.4 tp -136.75 146.14 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -139.72 139.03 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -144.12 131.03 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.76 -163.17 34.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mt -115.7 141.72 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -46.67 141.18 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.486 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 75.72 -48.44 2.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.42 162.4 74.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.69 45.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.55 HG13 ' CD2' ' A' ' 20' ' ' TYR . 82.1 t -62.05 -41.96 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG21 ' CZ ' ' A' ' 20' ' ' TYR . 79.9 t -117.57 107.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -141.28 106.4 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.23 155.08 18.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.14 126.39 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.47 142.12 55.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -56.47 -39.47 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 10.0 t-20 -140.28 174.58 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.4 148.77 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 76' ' ' VAL . 19.5 m -141.13 122.41 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.2 95.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 77' ' ' GLU . 6.6 p -71.67 -39.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.4 pt-20 -57.35 -24.39 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -103.47 -40.15 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -46.98 148.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -162.46 149.06 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.468 ' CB ' HG21 ' A' ' 91' ' ' VAL . 55.2 p-90 -121.4 169.94 10.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 pp -158.65 163.46 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.472 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 43.2 mt -96.6 124.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -99.6 124.68 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.2 m-20 43.3 41.72 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 33.84 34.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ASP . 11.5 ptpt -134.95 -34.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.471 HG11 ' N ' ' A' ' 89' ' ' VAL . 29.9 t -119.21 155.66 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.471 ' N ' HG11 ' A' ' 88' ' ' VAL . 55.5 t -121.62 101.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.6 p -89.91 144.03 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 81' ' ' TRP . 59.8 t -134.06 112.83 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -83.54 118.08 23.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.6 mt -111.08 119.53 39.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -84.51 125.12 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -82.22 115.88 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.62 -41.96 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 44.3 m-80 -115.33 79.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' LEU . 35.6 mttm -43.31 -28.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.6 mmt -83.76 24.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' ASN . 3.3 tp10 -131.05 143.21 50.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.501 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 73.9 m95 -97.6 168.22 10.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.452 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.8 m0 -124.29 138.89 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -87.74 -18.72 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -174.2 165.68 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.3 tp -70.13 -56.33 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.2 m -136.0 152.82 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.2 p -45.96 -31.32 2.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -68.3 -40.32 81.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.37 160.5 50.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.01 22.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -101.0 141.44 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.1 pt -131.88 134.89 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -64.91 120.34 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.7 p -91.8 -43.39 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -41.47 140.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.3 t -159.22 166.8 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 174.75 -167.12 39.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -2.57 10.38 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.5 m -45.68 114.24 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.1 t -76.51 145.96 38.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.9 t -35.68 -53.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -116.85 133.91 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.89 91.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -155.38 150.98 27.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -72.52 -61.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 152.34 55.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -91.35 -176.6 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -55.98 -41.25 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.99 35.64 2.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 41.99 34.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.98 -145.82 15.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.57 120.61 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.15 114.4 21.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 20' ' ' TYR . 2.2 mt -113.81 153.43 46.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.49 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -93.16 -32.48 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.568 ' CE1' HD13 ' A' ' 17' ' ' LEU . 4.1 p90 -172.36 160.05 4.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -119.0 137.14 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -142.93 143.93 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.8 p -121.9 154.93 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 15.7 pt20 -131.34 141.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.0 p -137.28 179.8 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 17.1 mt -82.26 23.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.79 -44.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -168.67 173.7 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.1 138.56 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.24 146.11 39.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.28 137.99 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.11 112.5 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.94 105.77 54.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 122.8 9.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -109.36 113.92 27.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -62.05 81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.73 146.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -105.55 26.63 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.21 -178.53 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -89.54 125.92 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -86.37 134.08 33.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.2 mmmt -101.16 144.28 30.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.99 -34.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -74.5 -39.22 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' LYS . 1.3 m-20 -57.35 -41.13 79.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.78 157.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -127.41 109.3 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.57 109.66 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.68 113.3 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.6 mt -104.67 123.23 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -124.4 173.53 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -57.15 -56.24 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.21 37.86 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.447 ' N ' HD13 ' A' ' 70' ' ' LEU . 1.7 t60 -163.35 144.48 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.0 tp -141.63 147.02 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' C ' HG21 ' A' ' 57' ' ' VAL . 31.3 ttt180 -139.97 141.64 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG21 ' C ' ' A' ' 56' ' ' ARG . 93.0 t -145.98 140.69 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.43 -151.43 19.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mt -133.03 142.64 48.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -48.15 141.66 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -51.37 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.31 161.94 76.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.54 40.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.3 6.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.8 t -59.39 -44.91 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.16 122.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 1.5 t0 -157.7 112.71 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.86 151.35 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.68 130.62 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 54' ' ' HIS . 31.2 mt -66.5 138.24 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -50.63 -42.35 56.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 19.2 t-20 -142.99 166.42 24.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 72' ' ' ASN . 9.4 mt-10 -60.77 151.59 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' VAL . 23.3 m -145.93 122.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -44.59 95.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.5 p -73.9 -35.79 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' N ' HG13 ' A' ' 76' ' ' VAL . 23.6 mt-10 -60.41 -25.99 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.82 -39.27 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -48.92 153.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -166.11 172.4 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.452 ' CB ' HG21 ' A' ' 91' ' ' VAL . 44.1 p-90 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -163.25 146.97 10.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.472 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 48.3 mt -83.9 125.26 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -100.55 128.95 46.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 87' ' ' LYS . 1.0 OUTLIER 44.65 36.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.49 31.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 85' ' ' ASP . 12.4 ptmt -134.39 -32.64 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 89' ' ' VAL . 53.9 t -118.85 153.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.47 ' N ' HG12 ' A' ' 88' ' ' VAL . 60.4 t -120.26 100.2 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -88.36 142.06 28.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 81' ' ' TRP . 55.1 t -134.92 114.89 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 5.0 t60 -86.49 119.73 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.8 mt -111.19 119.43 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -86.08 124.54 32.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' HD3' ' CD1' ' A' ' 102' ' ' TRP . 66.8 mttt -81.29 109.39 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.7 mm -35.22 -45.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -114.88 85.98 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 54.2 mttt -45.71 -23.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.7 mmt -87.48 30.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.2 tp10 -136.15 145.41 45.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.558 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 64.2 m95 -101.62 163.69 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.5 m0 -118.85 140.57 49.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -87.89 -20.38 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -174.84 166.19 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.7 tp -67.9 -63.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' ASP . 15.6 m -133.01 145.36 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' VAL . 76.4 p -36.05 -34.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 106' ' ' VAL . 4.1 t -61.93 -49.23 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . 18.5 m-20 -60.44 158.94 26.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.27 22.04 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -101.85 142.11 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.7 pt -123.77 136.31 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -60.3 114.27 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -89.35 132.9 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -82.76 43.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 t -98.36 161.25 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 146.49 -115.56 0.8 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.9 24.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.4 m -159.65 175.38 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -72.94 121.73 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -133.17 -58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -79.1 89.25 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.29 -56.92 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -85.66 -44.49 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -109.74 90.25 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.49 77.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -126.87 146.59 57.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 168.18 22.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -131.76 -176.09 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.2 -46.84 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -79.14 42.84 2.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' GLY . 71.5 m-80 34.26 37.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.9 -142.74 10.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.89 120.12 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.0 106.68 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.65 154.43 41.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -21.67 33.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.39 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -90.13 -33.63 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CD1' HD11 ' A' ' 17' ' ' LEU . 6.5 p90 -175.14 154.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -115.33 137.19 52.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 19.2 p-90 -143.21 145.11 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -121.93 159.06 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.7 pt20 -132.47 134.38 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ALA . 46.6 p -133.8 146.97 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 18.7 mt -40.19 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -83.17 -67.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.27 -177.93 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.477 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 2.5 tt -119.2 127.92 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.47 146.36 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tp -137.83 145.97 42.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.76 114.56 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.2 t -110.36 96.79 28.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 123.66 10.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -107.73 142.91 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -82.76 54.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 19.8 m -100.17 152.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -112.6 18.57 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.4 -178.34 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.436 ' HE ' ' N ' ' A' ' 86' ' ' GLY . 6.4 tpt180 -85.76 114.07 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.96 138.29 55.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' LYS . 29.8 mmtt -111.09 140.17 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.46 -27.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' LYS . 18.1 pttp -81.79 -43.06 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.3 m-20 -57.46 -38.65 74.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.5 m -91.25 160.01 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -132.05 103.24 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.7 t -124.15 115.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -109.03 114.31 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.5 mt -106.92 118.63 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -120.96 -175.6 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -64.54 -51.5 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -129.17 36.75 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -159.72 138.34 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 tp -140.21 145.76 37.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' C ' HG21 ' A' ' 57' ' ' VAL . 11.3 ttm180 -140.14 150.77 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.425 HG21 ' C ' ' A' ' 56' ' ' ARG . 59.1 t -153.21 143.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.12 -157.46 29.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 60' ' ' LYS . 10.5 mt -128.7 135.41 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' LEU . 21.1 tptt -35.22 137.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -55.47 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.9 161.62 28.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.491 HG11 ' N ' ' A' ' 66' ' ' VAL . 10.9 p -61.04 -29.87 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.491 ' N ' HG11 ' A' ' 65' ' ' VAL . 27.4 t -127.42 119.68 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -153.19 112.99 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.53 161.64 26.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.61 124.38 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.409 HD11 ' CG2' ' A' ' 74' ' ' VAL . 52.2 mt -55.33 131.02 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -45.04 -38.59 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -145.08 171.32 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.56 139.88 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 76' ' ' VAL . 21.9 m -133.54 127.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -47.55 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 77' ' ' GLU . 3.7 p -67.7 -40.91 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' N ' HG13 ' A' ' 76' ' ' VAL . 6.0 pt-20 -58.16 -21.23 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -105.33 -34.41 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m -50.76 147.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -165.23 160.45 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -138.26 171.2 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -159.94 160.05 33.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.48 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 63.8 mt -85.89 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -116.98 116.76 28.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 7.6 t70 59.73 25.04 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 48.37 17.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 1.5 ptpt -129.97 -11.71 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 89' ' ' VAL . 41.5 t -131.57 159.33 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' N ' HG11 ' A' ' 88' ' ' VAL . 50.8 t -128.91 105.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 p -95.01 131.78 40.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 23.3 t -121.59 122.4 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.9 t60 -94.63 114.65 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.9 mt -102.9 115.62 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -83.34 123.82 30.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.22 122.37 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.6 mm -44.18 -37.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -123.69 121.71 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -70.99 -10.03 59.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 30.5 mmt -103.74 35.33 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.16 146.26 48.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.476 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 55.7 m95 -109.84 160.69 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.496 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 9.7 m0 -118.38 133.9 55.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.03 -12.76 21.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -168.82 126.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 6.5 tt -45.22 -49.91 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.2 m -145.62 163.67 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.0 p -58.74 -12.6 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.7 m -100.48 35.4 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -141.17 152.05 63.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 109' ' ' ASP . 53.9 Cg_endo -69.81 138.96 38.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -69.58 158.61 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.5 pt -135.9 137.83 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -64.23 93.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.7 p -82.98 129.17 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.77 -60.89 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -61.75 153.88 27.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -166.35 -76.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.66 175.22 8.32 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.5 m -82.41 105.59 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.1 p -62.43 121.73 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -103.97 -59.57 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -108.75 139.36 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.54 72.37 1.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -72.22 123.95 24.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -144.02 117.8 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.27 40.29 1.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.76 151.77 47.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.58 62.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.425 ' OD1' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -105.61 -71.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -135.01 -41.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.43 49.79 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 35.5 m-80 46.77 31.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.72 -137.16 6.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.83 125.01 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' CG ' ' HB3' ' A' ' 10' ' ' ASN . 7.2 m-20 -87.76 98.9 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.582 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -102.59 153.9 37.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -19.48 36.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -92.22 -31.92 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.582 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.0 p90 -174.99 159.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -118.69 136.62 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -136.9 152.06 49.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.425 ' CG2' ' OD1' ' A' ' 10' ' ' ASN . 74.4 p -123.05 164.38 18.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 16.4 pt20 -143.95 138.41 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.2 p -136.59 179.95 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.54 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.1 mt -82.76 23.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.77 -43.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -168.64 173.39 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.2 tt -113.3 142.47 45.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.02 144.33 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.5 143.4 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.63 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.044 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.96 102.73 37.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 130.96 20.32 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.403 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.58 133.79 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.49 48.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m -95.64 147.53 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -109.63 26.23 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -148.36 -177.18 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -90.19 122.93 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.8 mt -78.74 146.21 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 45' ' ' ASP . 38.0 mmtt -118.85 141.05 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . -36.98 -40.55 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' LYS . 8.8 t0 -58.63 -40.29 82.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -95.72 163.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -133.35 104.7 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.5 t -122.65 116.96 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -111.58 109.23 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 54.7 mt -99.54 126.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -126.3 176.25 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -56.89 -58.18 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -122.04 34.67 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.433 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.3 t-160 -156.69 142.24 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -142.29 141.32 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -135.32 136.8 41.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.71 143.49 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.24 -163.77 35.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.9 mt -117.26 146.3 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 6.6 tmtt? -47.79 133.57 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.425 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 80.97 -57.31 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -63.49 162.25 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.36 37.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.78 4.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.66 -43.05 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.3 t -110.87 116.49 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -155.04 106.91 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.88 146.34 6.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.72 127.17 24.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 54' ' ' HIS . 32.3 mt -62.3 148.4 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.34 -44.94 84.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -138.45 177.89 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.67 141.15 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 76' ' ' VAL . 22.7 m -134.94 125.97 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.73 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -71.95 -32.07 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.64 -25.98 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.4 -39.13 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -43.5 148.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -165.64 154.36 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 52.4 p-90 -125.91 166.84 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 pp -153.02 163.43 39.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.475 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 69.5 mt -95.31 129.73 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -105.15 120.82 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' LYS . 4.1 m-20 46.74 37.46 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 38.53 25.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 85' ' ' ASP . 8.9 ptpt -128.14 -27.69 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 89' ' ' VAL . 57.4 t -124.08 159.59 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.437 ' N ' HG11 ' A' ' 88' ' ' VAL . 56.0 t -127.39 102.6 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -90.95 142.09 28.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.51 113.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 5.4 t60 -85.17 122.97 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.16 119.92 37.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -83.68 121.45 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -76.72 115.9 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.23 -41.59 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 100' ' ' GLU . 49.2 m-20 -116.47 81.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -43.22 -28.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.05 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 4.0 tp10 -133.95 145.25 49.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.54 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 70.6 m95 -101.99 167.8 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.489 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 8.7 m0 -122.49 140.86 52.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -93.0 -15.47 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -170.62 169.88 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.6 tp -79.1 -50.17 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.5 m -136.8 -178.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.7 p -82.66 28.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -131.28 -43.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.3 154.39 87.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 139.25 39.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.66 162.13 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.467 HD12 ' NE2' ' A' ' 24' ' ' GLN . 7.6 pt -135.1 133.92 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -52.67 110.35 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 p -87.24 -47.47 8.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 tttm 49.87 42.98 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -131.0 128.81 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.29 98.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -15.2 36.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.1 p -76.14 112.31 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 t -91.58 153.9 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -134.47 127.89 32.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -61.24 162.52 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.41 -148.9 17.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 58.78 34.36 23.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -148.5 159.05 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 34.41 78.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -67.9 152.4 96.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' C ' ' HD2' ' A' ' 8' ' ' LYS . 53.5 Cg_endo -69.73 89.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.328 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 10' ' ' ASN . 20.2 p30 -62.72 176.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -46.49 -53.01 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -76.67 45.15 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 37.31 28.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -101.65 179.94 27.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.31 119.99 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -78.12 107.79 10.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD13 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.18 153.23 41.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.95 31.64 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.44 -34.2 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.587 ' CD1' HD13 ' A' ' 17' ' ' LEU . 11.2 p90 -171.96 157.32 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -118.81 137.01 53.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -141.51 151.51 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -125.38 168.46 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 102' ' ' TRP . 21.7 pt20 -143.14 134.54 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 27' ' ' ALA . 52.6 p -135.04 144.52 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 14.3 mt -44.0 -22.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -84.42 -57.43 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.45 174.65 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.588 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.5 tt -111.54 162.48 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.469 ' N ' HD21 ' A' ' 29' ' ' LEU . 3.7 t70 -145.8 144.88 30.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 32' ' ' ALA . 5.3 tp -135.8 132.27 36.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' N ' HD11 ' A' ' 31' ' ' LEU . . . -123.68 118.24 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' CZ ' ' A' ' 35' ' ' PHE . 82.8 t -111.33 98.56 40.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.89 9.55 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.587 ' CE1' HD22 ' A' ' 59' ' ' LEU . 86.6 m-85 -113.67 130.49 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.14 62.32 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.4 m -94.47 143.76 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.55 19.86 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -148.91 179.43 7.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -82.62 125.69 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.1 mt -81.1 133.45 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' ASP . 19.0 mttt -111.94 142.24 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.468 ' N ' HD12 ' A' ' 83' ' ' ILE . . . -39.0 -40.74 1.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.45 -34.12 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LYS . 77.6 m-20 -61.01 -41.56 96.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG23 ' CH2' ' A' ' 81' ' ' TRP . 32.7 m -97.25 147.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.2 t -117.64 99.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 81' ' ' TRP . 25.5 t -114.05 105.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.08 124.59 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.4 mt -116.67 127.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -127.76 -179.48 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 8.0 tpp85 -51.41 -57.9 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' LEU . 10.3 ttt180 -129.13 20.65 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -131.4 133.72 45.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.7 tp -134.48 140.25 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -139.25 131.78 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.434 HG12 ' N ' ' A' ' 58' ' ' GLY . 97.7 t -134.28 143.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 167.3 173.96 35.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.595 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -85.19 157.76 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -57.18 125.16 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.65 -51.35 4.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.83 162.23 12.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 142.6 48.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 122.66 9.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 t -67.73 -25.59 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.29 109.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -140.53 111.43 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.42 24.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.2 116.07 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.6 mt -43.76 161.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.66 -43.35 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' CG ' ' OE2' ' A' ' 100' ' ' GLU . 36.3 t30 -139.32 170.36 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 10.8 mt-10 -67.63 134.92 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 76' ' ' VAL . 22.5 m -130.64 121.85 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -42.45 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.2 p -66.22 -40.62 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 76' ' ' VAL . 14.2 mt-10 -52.45 -20.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -110.3 -37.96 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.9 m -40.83 150.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.7 p -168.38 179.93 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.573 ' CH2' HG23 ' A' ' 46' ' ' VAL . 46.5 p-90 -152.42 171.24 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.6 pp -158.27 142.81 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 43' ' ' GLY . 14.4 mt -80.6 125.02 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 7.4 mt-10 -102.09 144.98 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.461 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 43.5 t0 40.87 25.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 49.26 16.69 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 2.3 ptpt -127.56 -21.37 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 36.3 t -120.12 159.46 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.0 t -130.44 97.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.8 p -85.31 135.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.4 118.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.64 123.31 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.2 mt -113.93 118.75 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -83.37 122.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ILE . 81.0 mttt -80.86 114.06 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' LYS . 28.6 mm -36.36 -42.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -119.81 122.93 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.68 -5.62 31.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -109.65 35.2 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' CG ' ' A' ' 72' ' ' ASN . 15.7 tt0 -132.46 138.94 47.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.533 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 54.1 m95 -107.34 160.05 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.588 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 11.9 m0 -115.45 150.36 36.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -107.56 -11.2 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -174.22 150.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.4 tp -56.93 -63.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.4 m -133.52 158.35 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.0 p -52.3 -18.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -95.31 31.11 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -137.64 157.01 74.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 145.92 58.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.98 164.94 19.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' THR . 0.7 OUTLIER -137.6 124.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.47 89.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' ILE . 68.3 p -61.0 85.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -45.07 -66.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 t -77.11 124.98 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.13 91.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -51.36 179.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -83.01 -55.54 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -39.04 154.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -99.58 154.62 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.96 -134.33 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -106.04 129.58 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -113.78 -54.5 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.2 137.43 7.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -120.65 152.51 55.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 114.84 3.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -85.12 178.19 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.37 -43.98 44.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -85.84 43.04 3.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 15.2 m-80 38.49 31.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -95.42 -151.49 28.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.38 120.73 8.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.89 94.41 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.569 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 2.2 mt -93.99 153.58 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -95.16 -30.67 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.569 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 5.4 p90 -173.18 161.02 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.67 133.77 55.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -137.9 147.5 44.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.7 p -124.05 166.61 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.78 135.96 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ALA . 73.0 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 14.6 mt -36.45 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.15 -64.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -151.33 178.88 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 tt -110.91 162.67 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.39 148.72 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 tp -141.68 146.9 36.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.04 115.03 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -111.83 103.26 55.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.9 8.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 37' ' ' VAL . 40.5 m-85 -108.98 114.39 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -61.06 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 35' ' ' PHE . 33.4 m -131.44 144.95 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -104.51 24.68 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -149.18 -177.72 5.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -86.7 123.52 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.62 137.6 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 134.5 38.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.39 -36.59 4.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -77.27 -35.82 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.68 -42.52 88.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -91.41 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.89 111.88 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.473 HG12 ' CG ' ' A' ' 81' ' ' TRP . 53.4 t -127.63 93.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -91.4 119.21 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 71.8 mt -111.16 122.23 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -122.43 175.17 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -57.81 -58.8 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -119.61 37.5 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -161.4 145.68 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.2 tp -145.11 142.12 29.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -140.34 136.63 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -141.31 141.06 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.74 -143.78 8.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 mt -132.25 152.48 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -57.87 135.62 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 -46.23 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.63 162.99 71.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.91 39.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.17 9.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.14 -41.32 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 78.7 t -118.67 115.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.89 110.85 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.27 155.65 13.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -66.1 134.99 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.2 mt -70.57 135.56 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.72 -44.77 9.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -138.77 175.49 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.8 150.57 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.471 ' O ' ' N ' ' A' ' 76' ' ' VAL . 33.1 m -143.35 121.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' N ' HD13 ' A' ' 96' ' ' ILE . 15.4 tttm -42.44 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 74' ' ' VAL . 9.5 p -69.5 -33.81 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 76' ' ' VAL . 36.9 mm-40 -59.31 -24.72 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' CG ' ' HZ2' ' A' ' 75' ' ' LYS . 2.4 mm-40 -104.34 -39.32 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -42.92 147.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -166.7 153.58 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.473 ' CG ' HG12 ' A' ' 48' ' ' VAL . 29.9 p-90 -122.95 173.09 8.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD12 ' C ' ' A' ' 82' ' ' LEU . 2.2 pp -163.84 142.54 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 68.5 mt -80.12 126.19 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -102.26 130.58 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' LYS . 1.6 m-20 43.74 38.51 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.431 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 36.39 31.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 85' ' ' ASP . 11.9 ptpt -133.74 -33.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 77.7 t -116.74 159.37 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.442 ' N ' HG11 ' A' ' 88' ' ' VAL . 76.5 t -127.44 98.4 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -86.46 141.47 29.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.45 HG21 ' CB ' ' A' ' 81' ' ' TRP . 44.4 t -131.99 112.54 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 127.21 33.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.8 mt -118.06 118.39 31.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 95' ' ' LYS . 8.3 tp10 -83.32 124.86 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 96' ' ' ILE . 72.9 mttt -81.75 109.91 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 95' ' ' LYS . 22.9 mm -33.75 -44.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -117.32 120.14 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -70.4 -22.82 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.4 mmt -91.47 30.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -133.49 144.56 49.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.527 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -106.43 174.2 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -126.92 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -95.06 -16.77 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -174.78 163.91 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.3 tp -70.17 -51.63 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.3 m -137.76 146.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -43.63 -42.19 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -59.63 -35.76 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.15 159.83 82.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.82 154.12 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' ASN . 8.5 pt -131.6 138.84 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -57.64 99.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.1 p -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -101.66 169.19 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 m -116.07 -65.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.92 167.91 32.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 87.87 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -47.79 -44.2 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -132.44 -61.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -62.49 99.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 p -163.09 132.34 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.54 129.3 2.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -109.14 -57.94 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -98.05 129.49 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.47 108.82 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -136.16 154.23 77.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.69 13.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.45 176.15 5.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -47.66 -51.8 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -78.07 44.84 2.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' GLY . 34.4 m-80 34.35 47.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.54 -150.6 11.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.16 119.99 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.74 112.07 18.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.615 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -113.22 152.43 45.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.92 35.35 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -91.21 -32.18 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.615 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 8.0 p90 -174.81 160.34 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -117.35 133.28 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 14.3 p-90 -140.97 138.81 34.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -117.84 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.7 pt20 -140.38 131.06 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.7 p -132.54 145.94 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.2 mt -35.12 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -74.22 -68.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.52 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 0.8 OUTLIER -150.99 176.93 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.547 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.5 tt -113.85 139.17 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.01 153.16 32.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 tp -142.73 144.78 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.45 106.56 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.7 t -102.16 99.4 12.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -117.94 134.84 54.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -76.61 49.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 27.6 m -94.84 134.61 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -97.24 20.38 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.84 -179.84 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -83.88 132.52 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.4 mt -88.05 135.13 33.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.8 mttt -106.09 144.93 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.46 -34.56 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -31.71 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.5 m-20 -63.79 -40.34 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.99 160.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.5 t -129.96 107.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -126.32 111.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.22 115.58 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 64.1 mt -109.37 120.62 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -122.88 179.79 4.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -57.86 -54.36 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -128.2 37.91 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.435 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.2 t-80 -157.77 129.92 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 28.2 tp -128.4 143.39 50.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -140.23 141.23 35.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -149.44 141.9 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.78 -158.81 31.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.02 143.33 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -46.72 140.34 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.68 -50.1 2.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -74.16 161.38 78.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 143.31 50.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 120.62 7.38 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.741 2.294 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.6 -39.67 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.56 122.81 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -159.56 116.6 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.85 159.87 19.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -67.4 117.28 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 74' ' ' VAL . 17.9 mt -52.68 134.83 35.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.442 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 15.5 t80 -43.44 -43.0 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -143.79 175.66 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.418 ' C ' HG13 ' A' ' 74' ' ' VAL . 4.1 mt-10 -63.43 155.4 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.454 HG23 ' CD1' ' A' ' 70' ' ' LEU . 21.1 m -151.54 121.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.478 ' N ' HD11 ' A' ' 96' ' ' ILE . 34.5 tttt -44.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 77' ' ' GLU . 7.2 p -75.16 -37.17 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.452 ' N ' HG12 ' A' ' 76' ' ' VAL . 14.6 mt-10 -60.11 -24.93 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.19 -39.49 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -48.03 154.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -166.96 174.83 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.449 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -143.95 171.59 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.7 pp -158.38 164.07 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 63.9 mt -95.48 130.53 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -106.52 115.6 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . 18.5 m-20 51.23 38.5 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.467 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.65 28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -131.11 -29.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.416 ' CG2' ' HE3' ' A' ' 87' ' ' LYS . 66.4 t -121.54 159.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.41 ' N ' HG11 ' A' ' 88' ' ' VAL . 71.5 t -127.5 101.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 p -88.45 140.03 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 81' ' ' TRP . 47.6 t -133.03 113.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.52 ' CE1' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t60 -84.7 127.53 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.0 mt -116.09 115.42 26.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.14 128.51 34.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.9 mttt -87.49 111.0 20.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.478 HD11 ' N ' ' A' ' 75' ' ' LYS . 36.7 mm -33.24 -40.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -120.65 117.89 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.56 -15.89 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mmt -96.99 31.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.66 140.19 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.527 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 56.4 m95 -104.15 168.45 9.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.547 ' CE3' HD13 ' A' ' 29' ' ' LEU . 7.9 m0 -125.34 133.39 52.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -84.13 -21.83 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.55 146.94 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 5.3 tt -47.84 -58.89 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.461 HG12 ' CD2' ' A' ' 105' ' ' LEU . 5.3 m -144.15 158.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.4 p -45.86 -24.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 t -90.51 38.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.77 161.57 42.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.68 58.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -89.21 142.96 27.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.475 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.3 pt -131.32 139.31 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -60.03 131.05 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.6 p -103.97 167.61 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -99.61 -54.07 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m 65.22 44.25 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.89 100.65 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -84.22 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.7 t -161.95 139.51 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -154.16 134.52 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -133.44 105.62 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.51 -153.43 9.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -68.79 134.44 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -120.13 -46.56 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.13 118.85 4.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.62 152.67 78.13 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.06 14.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -84.07 -175.28 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.76 -45.72 91.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.92 41.28 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 43.31 44.14 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.02 -145.99 10.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.55 119.99 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -105.4 152.86 40.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.565 0.697 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -19.41 36.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' HB3' ' CD2' ' A' ' 20' ' ' TYR . 7.6 t-20 -92.85 -30.23 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 17' ' ' LEU . 6.1 p90 -174.01 165.91 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -122.6 129.3 51.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 18.3 p-90 -137.6 137.56 38.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -117.83 157.86 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.1 pt20 -134.25 134.95 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' ALA . 49.4 p -134.01 144.66 48.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 11.9 mt -36.71 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.43 -68.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -148.21 174.53 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -112.56 132.59 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -110.75 148.01 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -137.03 145.44 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -140.88 107.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.14 101.09 24.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.748 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.57 12.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' VAL . 43.7 m-85 -114.72 116.91 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -63.65 76.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 35.5 m -118.62 150.05 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -110.55 23.96 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -147.78 -178.21 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -89.78 114.0 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.27 148.28 47.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASP . 10.8 mmtp -117.23 141.99 47.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' HD13 ' A' ' 83' ' ' ILE . . . -40.41 -35.74 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -74.83 -38.78 61.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LYS . 79.6 m-20 -57.71 -40.57 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG12 ' CD2' ' A' ' 59' ' ' LEU . 30.1 m -92.08 159.04 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.2 t -128.25 100.99 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.7 t -118.79 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.74 108.66 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.6 mt -100.07 126.02 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.86 175.53 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -59.33 -55.26 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -123.18 36.85 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' N ' HD11 ' A' ' 70' ' ' LEU . 41.7 t-80 -161.74 146.28 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.9 tp -145.9 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.424 ' C ' HG22 ' A' ' 57' ' ' VAL . 15.7 ttm180 -140.21 137.28 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 58' ' ' GLY . 80.2 t -140.49 144.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 171.01 -156.55 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 46' ' ' VAL . 9.3 mt -132.36 138.51 47.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -39.78 137.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -57.92 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -63.9 161.78 35.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.92 52.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.8 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 66' ' ' VAL . 12.6 p -57.3 -29.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.498 ' N ' HG12 ' A' ' 65' ' ' VAL . 46.9 t -133.7 123.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -161.03 111.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.4 159.19 21.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.49 132.27 52.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 54' ' ' HIS . 37.9 mt -70.31 139.19 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -49.88 -41.51 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.7 -174.99 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.94 145.43 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 20.9 m -139.04 120.06 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -42.39 97.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 p -72.65 -36.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.44 -23.64 62.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -105.71 -39.23 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 m -48.95 159.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -173.56 172.44 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 50.3 p-90 -142.3 170.62 15.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 pp -158.79 156.44 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.501 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 96.8 mt -89.43 127.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -104.77 121.73 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 46.37 33.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.501 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.97 28.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 18.9 ptmt -130.09 -25.64 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.3 t -129.58 149.36 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.89 99.57 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.6 p -85.41 137.71 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -131.18 116.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 3.1 t60 -88.96 126.19 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.3 mt -115.77 117.3 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.29 120.21 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' ILE . 69.1 mttt -76.52 110.79 11.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LYS . 25.1 mm -33.76 -37.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 95' ' ' LYS . 10.3 t-20 -124.51 120.83 33.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' LEU . 42.3 mmtt -70.48 -18.0 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 19.2 mmt -96.21 32.31 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -134.35 144.18 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 49.2 m95 -103.58 170.55 7.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.49 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.0 m95 -128.69 137.68 51.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.0 -19.58 23.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 20.2 ptt-85 -174.31 163.71 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 tp -68.95 -54.61 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.4 m -131.75 179.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.1 p -83.85 28.17 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -122.4 -50.14 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.51 162.73 7.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.39 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.82 154.08 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.446 HD12 ' NE2' ' A' ' 24' ' ' GLN . 8.1 pt -136.99 136.9 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -49.78 146.41 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.4 p -140.25 170.74 15.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -116.91 152.45 34.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.9 m -133.17 111.18 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.07 77.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.64 2.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 m 56.61 42.76 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t 66.3 42.36 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -167.93 141.05 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -92.24 -52.76 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.08 -102.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p 42.37 33.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -92.38 150.66 20.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.92 -165.49 21.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -130.73 153.55 81.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 114.43 3.7 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 12' ' ' GLY . 25.0 p30 -85.93 -175.72 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -58.72 -37.13 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 10' ' ' ASN . . . -79.97 39.84 2.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' GLY . 72.1 m-20 33.93 37.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -111.22 -141.34 8.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.69 119.98 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -83.89 108.73 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.547 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 1.8 mt -108.12 152.37 41.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.52 36.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -92.24 -32.22 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CE1' ' CD1' ' A' ' 17' ' ' LEU . 4.8 p90 -171.84 159.8 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -118.57 134.89 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -141.5 142.61 33.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -117.73 173.73 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.7 pt20 -154.36 136.33 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.5 p -133.93 -175.32 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 23.8 mt -81.82 26.11 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.96 -52.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -161.45 175.36 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.53 133.86 55.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.84 136.01 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp -131.34 133.8 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.49 111.66 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.2 t -104.96 102.32 35.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 121.85 8.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -108.8 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -65.53 76.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.89 146.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -105.53 24.59 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -145.87 -178.19 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.404 ' HD3' ' NZ ' ' A' ' 42' ' ' LYS . 4.6 ttt85 -90.99 126.31 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.5 mt -80.76 148.49 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' NZ ' ' HD3' ' A' ' 40' ' ' ARG . 15.6 mmtm -110.77 148.8 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.23 34.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -81.92 -31.27 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -40.91 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' A' ' 59' ' ' LEU . 27.4 m -92.16 150.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.32 104.7 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.83 106.62 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -102.77 114.12 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.0 mt -106.5 115.51 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -117.09 173.24 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -60.46 -52.22 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -123.07 37.75 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.432 ' N ' HD13 ' A' ' 70' ' ' LEU . 1.8 t60 -165.34 144.79 6.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.445 ' CD2' HD12 ' A' ' 93' ' ' LEU . 30.6 tp -139.21 145.87 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -140.22 141.75 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -149.1 143.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.05 -155.52 26.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' CD2' HG11 ' A' ' 46' ' ' VAL . 20.3 mt -128.88 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -48.35 138.94 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.88 -57.37 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.33 162.05 36.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.44 54.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.9 p -50.65 -34.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.55 117.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -154.05 110.68 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.07 156.5 15.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.16 131.04 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 54' ' ' HIS . 30.9 mt -69.81 133.54 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -44.32 -43.31 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -141.07 170.64 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.64 147.09 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.9 m -140.3 124.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.55 95.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 77' ' ' GLU . 7.4 p -71.82 -39.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.441 ' N ' HG11 ' A' ' 76' ' ' VAL . 3.6 pt-20 -57.78 -23.29 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.51 -40.03 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -49.2 149.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -167.83 147.56 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -115.87 171.65 7.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -160.13 141.51 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 97.1 mt -76.85 127.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -105.09 123.61 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.421 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 38.6 m-20 45.69 34.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.16 28.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HD3' ' CB ' ' A' ' 85' ' ' ASP . 14.6 ptmt -129.61 -28.66 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.469 HG11 ' N ' ' A' ' 89' ' ' VAL . 34.4 t -124.76 156.56 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.469 ' N ' HG11 ' A' ' 88' ' ' VAL . 74.4 t -123.34 97.35 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -85.16 135.68 33.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 44.0 t -128.01 111.44 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.06 117.77 23.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 55' ' ' LEU . 46.9 mt -110.13 117.33 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -83.51 121.58 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -76.79 117.2 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -45.96 -38.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' GLU . 9.5 m120 -118.93 80.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -42.48 -27.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.9 mmt -86.47 29.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 2.5 tp10 -137.27 146.94 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.57 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 82.5 m95 -100.54 171.73 7.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.3 m0 -124.44 143.26 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.91 -23.28 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -172.34 170.72 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.22 -46.38 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.07 164.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.7 p -54.32 -32.34 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.9 p -82.22 40.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -146.88 159.59 42.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.728 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.74 57.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.61 141.99 28.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.9 pt -125.12 134.52 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -54.92 124.52 16.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 p -110.89 112.34 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -73.75 111.44 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.8 m -133.12 154.26 50.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.04 -177.54 36.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m 39.6 42.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -55.87 117.57 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -61.49 171.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -39.4 125.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 81.97 107.14 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.0 t -38.4 103.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -96.21 110.03 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.05 93.74 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -134.24 152.63 78.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 131.26 20.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -178.16 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -45.25 67.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -85.67 45.7 3.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' GLY . 40.9 m-80 34.72 45.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.26 -148.53 11.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.49 120.09 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.56 105.33 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -106.44 152.65 40.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.862 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.01 35.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 -32.6 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.557 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.0 p90 -175.16 157.72 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -113.68 133.67 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 22' ' ' TRP . 18.1 p-90 -142.38 143.58 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -124.27 161.77 25.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.9 pt20 -134.62 137.28 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . 67.8 p -134.31 144.25 48.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.6 mt -38.58 -26.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -81.75 -66.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.19 174.3 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.3 tt -111.75 136.32 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.17 151.9 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tp -142.65 144.34 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.78 113.1 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -110.63 102.14 51.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.4 12.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' VAL . 28.3 m-85 -114.13 114.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -61.86 79.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' PHE . 34.5 m -120.63 152.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -105.99 13.27 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -146.79 -175.48 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -82.66 121.5 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.9 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.0 mmmt -95.97 136.01 36.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.35 -38.17 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -69.37 -40.97 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 5.6 m-20 -58.07 -38.89 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.48 153.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -126.03 95.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.6 t -114.64 110.18 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -108.71 114.31 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.6 mt -105.67 125.19 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -125.84 178.46 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' NH1' HG12 ' A' ' 76' ' ' VAL . 23.4 tpp180 -58.37 -54.14 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -128.14 39.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -160.44 134.86 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.7 tp -135.9 139.55 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' C ' HG22 ' A' ' 57' ' ' VAL . 57.4 ttp180 -140.15 139.08 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 56' ' ' ARG . 78.3 t -144.93 147.57 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.45 -152.39 21.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 60' ' ' LYS . 17.9 mt -131.56 129.33 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 59' ' ' LEU . 0.1 OUTLIER -31.99 -72.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -75.12 50.52 2.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 1.2 mt-30 -175.83 164.65 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.47 66.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 66' ' ' VAL . 8.5 p -48.69 -32.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.498 ' N ' HG13 ' A' ' 65' ' ' VAL . 47.3 t -130.45 120.8 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -152.66 106.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.55 152.37 9.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.72 139.8 56.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 mt -74.63 140.39 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.92 -44.03 50.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -142.65 172.77 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.47 144.72 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 76' ' ' VAL . 33.2 m -137.77 120.82 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -44.01 91.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.7 p -65.56 -41.64 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 76' ' ' VAL . 16.8 mt-10 -56.89 -19.46 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.35 -36.12 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 m -50.72 151.1 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -170.23 148.4 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -120.32 167.82 11.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 pp -155.21 150.23 26.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.478 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 85.5 mt -84.85 126.15 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.18 131.22 51.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 87' ' ' LYS . 33.8 m-20 41.38 32.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.06 22.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 85' ' ' ASP . 14.6 ptmt -127.11 -15.77 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.15 154.44 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.9 t -120.81 100.94 9.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -88.34 138.65 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.1 t -129.77 115.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 3.2 t60 -87.0 123.9 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.8 mt -112.09 117.35 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.43 123.72 29.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -81.57 117.46 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.6 mm -42.48 -36.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -124.4 118.26 26.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.07 -16.51 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.72 32.44 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -133.26 142.08 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.491 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -103.77 164.93 11.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 7.7 m0 -122.91 141.2 52.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 10.4 p-10 -96.91 -14.62 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 -173.08 161.33 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.4 tp -69.67 -59.21 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 m -130.1 -177.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -84.24 26.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -120.11 -43.8 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.63 162.37 67.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.23 35.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.312 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -91.77 160.29 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.462 HD13 ' NE2' ' A' ' 24' ' ' GLN . 6.8 pt -141.22 145.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.87 129.69 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 61.8 p -126.55 137.73 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -95.92 101.08 12.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.5 t -103.63 95.13 5.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.88 -176.12 14.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -20.11 35.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 t 55.36 42.13 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -98.83 -52.29 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 71.78 42.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -58.43 149.48 24.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 -114.93 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -131.37 122.68 26.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -130.18 127.28 39.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.33 109.03 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -100.04 152.65 37.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 124.29 10.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -99.44 179.41 4.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -43.49 -51.29 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -80.59 42.23 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' GLY . 70.3 m-80 36.26 30.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -93.9 -146.37 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.55 120.07 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.74 109.05 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 20' ' ' TYR . 2.0 mt -112.44 151.3 43.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.722 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -21.86 33.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -89.59 -34.15 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.525 ' CE1' HD13 ' A' ' 17' ' ' LEU . 2.7 p90 -174.3 150.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -110.69 141.65 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.2 p-90 -146.82 145.83 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -122.03 164.69 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -138.66 132.83 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ALA . 59.7 p -131.14 143.46 50.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -41.29 -24.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -83.87 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.52 177.43 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -113.63 155.41 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' N ' HD21 ' A' ' 29' ' ' LEU . 8.3 m-20 -134.13 149.04 51.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tp -139.81 146.36 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HB1' ' NH1' ' A' ' 21' ' ' ARG . . . -139.97 106.0 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -107.82 104.77 54.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.723 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 122.46 9.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -97.89 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -87.26 82.93 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.5 m -140.15 153.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -110.44 20.26 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.92 179.32 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -85.35 119.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.4 mt -74.58 139.28 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mmmt -101.14 136.71 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -77.2 -36.61 54.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.4 m-20 -58.47 -40.84 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.97 153.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.97 107.4 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' CG ' ' A' ' 81' ' ' TRP . 73.8 t -122.63 95.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.66 121.33 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.7 mt -113.25 123.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -123.38 -176.08 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -64.44 -58.3 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -122.25 36.92 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -159.9 138.75 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.5 tp -139.08 138.8 37.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.3 ttt180 -137.13 131.92 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 58' ' ' GLY . 53.4 t -134.94 154.35 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.411 ' N ' ' CG1' ' A' ' 57' ' ' VAL . . . 153.13 -151.0 22.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.0 mt -119.59 160.81 21.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.857 0.36 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -60.07 131.02 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.11 -55.9 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -57.2 162.24 4.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.66 23.82 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 t -63.55 -38.87 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.45 116.43 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -151.1 108.32 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 146.1 5.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -53.47 133.6 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.4 mt -71.5 142.3 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -49.2 -55.68 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -128.22 174.7 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -71.14 151.61 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' VAL . 31.1 m -143.58 127.32 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -46.98 89.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -64.92 -37.29 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.474 ' N ' HG11 ' A' ' 76' ' ' VAL . 12.8 mm-40 -57.91 -22.09 46.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.89 -32.21 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -47.08 150.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -165.84 173.53 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.445 ' CG ' HG12 ' A' ' 48' ' ' VAL . 40.2 p-90 -146.63 170.15 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.6 pp -162.17 140.56 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -78.92 123.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.6 mm-40 -99.13 143.8 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 41.3 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 48.57 17.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.478 ' CD ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.51 -18.2 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.478 HG23 ' CD ' ' A' ' 87' ' ' LYS . 61.9 t -122.24 157.54 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.455 ' N ' ' CG1' ' A' ' 88' ' ' VAL . 54.4 t -126.65 98.67 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.5 p -90.69 141.59 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.443 HG21 ' CB ' ' A' ' 81' ' ' TRP . 22.2 t -133.3 120.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -88.83 131.56 35.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.9 mt -119.74 116.7 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -83.66 118.82 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' CE ' ' CD1' ' A' ' 102' ' ' TRP . 72.8 mttt -75.38 120.11 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -44.53 -39.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -118.52 114.32 22.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -68.62 -9.46 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 11.8 mmt -105.84 36.23 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.0 tp10 -137.16 146.53 45.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 50.5 m95 -105.7 168.82 8.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.432 ' CD1' ' CE ' ' A' ' 95' ' ' LYS . 8.0 m95 -122.57 146.7 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -100.27 -16.87 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -174.76 156.88 2.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 56.1 tp -62.4 -54.06 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -133.52 179.17 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 20.8 p -83.99 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.5 t -122.76 -45.61 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.38 161.99 65.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.56 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.88 165.47 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 pt -145.04 141.54 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.58 126.98 29.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -98.05 137.16 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.54 110.1 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.5 t -65.42 169.86 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.67 153.98 18.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 119' ' ' SER . 54.0 Cg_endo -69.79 142.74 48.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 118' ' ' PRO . 4.2 m 34.63 38.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -71.85 103.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -115.64 42.52 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 69.38 41.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.99 112.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -44.31 103.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 p -135.5 133.1 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.33 35.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -112.21 152.6 44.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 179.99 3.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' HB2' ' N ' ' A' ' 15' ' ' ALA . 25.0 t30 -129.52 -177.47 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.8 -53.5 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.91 56.85 4.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 45.73 37.34 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.45 -135.39 8.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.409 ' N ' ' HB2' ' A' ' 10' ' ' ASN . . . -149.7 121.91 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.19 111.45 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD11 ' CE1' ' A' ' 20' ' ' TYR . 5.0 mt -113.29 153.28 45.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -89.75 -34.77 16.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' A' ' 17' ' ' LEU . 2.5 p90 -169.06 161.17 10.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -120.54 131.03 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.513 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.7 p-90 -138.1 144.61 40.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.3 p -117.75 176.08 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.456 ' NE2' HD12 ' A' ' 112' ' ' ILE . 26.1 pt20 -152.27 139.44 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.9 p -136.11 177.65 7.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 31.6 mt -80.95 17.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.96 -44.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -168.64 -179.66 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 24' ' ' GLN . 1.3 tp -111.0 158.71 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -140.04 115.0 9.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 tp -112.43 140.8 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.84 119.68 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.054 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.3 t -112.45 100.04 48.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 121.99 8.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -111.42 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -67.06 72.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m -115.64 148.58 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -109.43 26.42 10.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.4 -177.99 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -87.21 127.98 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.5 mt -84.34 139.44 32.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -104.77 146.96 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.61 -36.65 4.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -76.43 -36.27 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.04 -39.46 72.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' CG2' ' CH2' ' A' ' 81' ' ' TRP . 30.1 m -95.48 164.36 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.44 108.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.1 t -127.69 120.7 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.77 103.91 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.2 mt -94.52 128.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -130.87 179.55 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -62.75 -52.72 62.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 -126.0 34.5 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -158.13 142.87 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.7 tp -141.1 148.26 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.413 ' C ' HG21 ' A' ' 57' ' ' VAL . 17.8 ttm180 -140.19 143.38 36.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG21 ' C ' ' A' ' 56' ' ' ARG . 77.3 t -148.31 139.7 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.78 -167.84 40.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 60' ' ' LYS . 19.1 mt -117.05 137.87 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -33.53 132.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.475 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 76.09 -56.37 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -57.22 162.38 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.96 61.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 66' ' ' VAL . 10.4 p -48.37 -29.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' N ' HG13 ' A' ' 65' ' ' VAL . 42.0 t -130.78 115.9 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 5.8 p-10 -153.16 106.41 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.39 147.71 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -54.71 131.95 44.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.33 148.04 50.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.01 -40.07 72.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -142.47 -178.69 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.7 154.34 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' VAL . 18.8 m -146.81 123.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' N ' HD11 ' A' ' 96' ' ' ILE . 30.7 tttt -46.28 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.6 p -70.57 -38.18 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.2 -21.89 60.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -106.03 -38.8 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -46.22 155.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.6 p -172.48 141.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.485 ' CH2' ' CG2' ' A' ' 46' ' ' VAL . 51.6 p-90 -111.72 171.73 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 pp -158.78 168.76 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.474 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 72.3 mt -100.55 127.3 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -105.0 124.76 50.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 45.32 34.32 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.474 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.36 29.44 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 11.6 ptmt -131.33 -29.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 89' ' ' VAL . 22.7 t -122.93 156.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.473 ' N ' HG11 ' A' ' 88' ' ' VAL . 94.1 t -123.0 98.96 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -86.84 143.21 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.1 t -130.09 107.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.95 116.49 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.5 mt -111.08 121.98 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.93 118.88 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.41 116.63 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 75' ' ' LYS . 40.1 mm -44.25 -38.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -120.36 107.13 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' LEU . 17.6 mmtp -59.33 -33.06 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 7.8 mmt -84.63 29.69 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.25 137.55 52.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.569 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 60.1 m95 -102.8 167.61 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.403 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 8.8 m0 -124.0 140.14 53.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.32 -17.22 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -172.24 167.11 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 57.2 tp -69.74 -52.61 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.63 -176.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.2 p -83.95 25.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -125.45 -35.7 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.77 155.01 94.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.566 0.698 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.1 52.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.298 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.65 155.88 36.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.456 HD12 ' NE2' ' A' ' 24' ' ' GLN . 5.5 pt -134.98 140.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.81 117.88 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.1 p -102.89 152.93 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -158.41 144.42 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 t -101.35 -57.17 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -149.96 160.22 28.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 t 62.77 43.88 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -60.43 101.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -113.81 111.01 21.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -89.91 81.82 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.47 -114.99 7.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.431 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 m -155.33 145.12 21.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -89.12 86.44 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.68 99.25 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -131.31 150.77 77.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.86 167.06 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -43.02 -41.04 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -81.6 37.01 2.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 39.99 25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -99.29 -150.45 25.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.93 120.81 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.5 110.28 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.552 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -111.88 152.87 44.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.11 31.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -87.77 -34.56 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.552 ' CE1' HD12 ' A' ' 17' ' ' LEU . 5.8 p90 -172.38 159.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -116.65 134.41 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.49 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 30.7 p-90 -139.92 135.39 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -118.54 140.97 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.3 pt20 -116.24 137.13 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.3 p -135.36 144.62 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.515 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.7 mt -37.81 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.3 -65.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.35 176.6 11.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -112.92 127.58 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.98 117.09 31.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 22' ' ' TRP . 6.3 tp -104.43 150.82 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.23 115.18 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG13 ' CG1' ' A' ' 65' ' ' VAL . 59.8 t -116.4 105.55 50.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 111.082 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 122.73 9.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.512 ' CD2' HD21 ' A' ' 59' ' ' LEU . 3.3 m-30 -99.11 113.33 25.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -61.65 82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 35.1 m -140.87 154.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -111.83 24.28 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -141.92 -174.96 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -92.73 124.96 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 35' ' ' PHE . 34.9 mt -76.96 155.01 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 24.3 mmtt -119.67 133.55 55.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.81 -35.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -74.97 -38.68 61.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 42' ' ' LYS . 83.3 m-20 -59.15 -40.45 85.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -92.76 148.65 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.6 t -124.23 97.79 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 81' ' ' TRP . 43.0 t -115.36 99.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.68 117.41 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 70.1 mt -107.64 115.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -113.34 -177.27 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -63.23 -56.21 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -123.69 36.22 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -159.3 142.79 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 tp -144.61 144.98 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -139.28 145.63 39.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 58' ' ' GLY . 83.3 t -146.15 140.08 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' N ' HG11 ' A' ' 57' ' ' VAL . . . 152.79 166.89 14.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' A' ' 35' ' ' PHE . 4.4 mm? -75.64 135.38 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' LEU . 1.4 tmtp? -34.29 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -80.76 57.14 4.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 mt-30 -168.36 166.41 7.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 62' ' ' GLN . 53.7 Cg_endo -69.73 137.0 34.49 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 66' ' ' VAL . 7.2 p -55.75 -29.7 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.473 ' N ' HG13 ' A' ' 65' ' ' VAL . 47.9 t -127.47 111.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.96 109.18 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.06 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.79 132.33 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.61 148.31 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -55.7 -50.64 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -137.34 -178.55 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -72.13 140.73 49.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 76' ' ' VAL . 18.8 m -134.41 120.99 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -42.09 93.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -68.77 -40.41 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' N ' HG11 ' A' ' 76' ' ' VAL . 28.5 mm-40 -58.16 -21.65 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' OE1' ' A' ' 94' ' ' GLU . 18.1 mm-40 -106.25 -33.44 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 m -48.12 155.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -174.5 151.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.484 ' CD1' HG11 ' A' ' 48' ' ' VAL . 58.2 p-90 -123.89 171.61 9.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.29 144.71 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.4 mt -85.81 113.54 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.67 133.37 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 31.2 t0 56.3 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 19.5 0.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.435 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 9.4 ptpt -131.7 -28.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.24 146.08 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.66 102.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.8 p -95.58 127.34 41.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 60.9 t -113.21 120.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.7 t60 -91.33 113.73 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.5 mt -105.86 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 2.3 tt0 -83.34 125.13 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' ILE . 73.6 mttt -81.79 113.58 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' LYS . 17.8 mm -34.09 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' LYS . 44.3 t30 -124.58 126.56 46.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -75.41 -14.2 60.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.3 mmt -100.74 35.82 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 2.3 tp10 -135.48 145.17 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.515 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 44.4 m95 -106.34 165.76 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.493 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.2 m95 -120.67 141.08 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -94.12 -19.65 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -175.1 156.01 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.3 -65.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 m -128.35 150.28 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.0 p -42.01 -29.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 t -71.04 -45.22 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.97 156.04 39.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.47 67.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.02 148.93 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.4 pt -130.0 130.31 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.53 120.19 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.6 p -105.92 120.31 41.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -133.88 142.23 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.9 p -146.27 106.58 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -175.48 147.94 9.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.75 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.0 t -71.97 145.49 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.6 m -159.37 155.87 27.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -147.84 150.76 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -123.31 81.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.49 129.23 8.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.527 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -58.42 -53.04 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -58.08 129.26 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 171.33 38.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -113.75 153.4 45.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.92 10.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.91 -178.82 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.25 -39.53 69.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.02 35.89 2.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 28.9 m-80 41.62 30.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.52 -147.76 20.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.12 121.22 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.79 109.73 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD11 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -111.12 150.82 42.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -20.09 35.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -89.79 -32.75 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.573 ' CD1' HD11 ' A' ' 17' ' ' LEU . 5.1 p90 -174.45 153.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -110.24 136.31 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.503 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 48.2 p-90 -142.85 137.44 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -122.43 147.86 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 8.0 pt20 -124.57 127.41 47.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.6 p -125.23 143.73 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -37.09 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.97 -67.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' CD ' ' HB2' ' A' ' 27' ' ' ALA . 2.0 pm0 -150.58 177.41 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -111.17 140.51 45.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.64 117.24 24.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 32' ' ' ALA . 6.1 tp -105.33 148.12 27.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' N ' ' CD1' ' A' ' 31' ' ' LEU . . . -142.21 112.73 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.6 t -109.42 103.71 53.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.735 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 121.96 8.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 26.3 m-85 -107.29 111.8 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -60.71 76.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' PHE . 33.6 m -123.23 149.61 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -109.32 25.97 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -145.96 -176.8 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -90.92 128.06 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.63 150.52 25.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.2 mmtp -122.82 140.12 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.45 -38.88 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 45' ' ' ASP . 1.6 pptp? -75.14 -36.52 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 26.5 t0 -60.17 -38.67 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG12 ' CD2' ' A' ' 59' ' ' LEU . 34.9 m -96.24 152.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' NH2' ' A' ' 56' ' ' ARG . 53.3 t -119.4 113.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 81' ' ' TRP . 77.0 t -131.12 120.32 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.25 104.3 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.5 mt -93.42 131.61 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -128.15 178.19 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.76 -52.04 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -125.54 34.97 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -161.23 149.9 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.2 tp -146.59 147.25 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' NH2' ' CG1' ' A' ' 47' ' ' VAL . 33.3 ttp180 -139.12 136.74 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 58' ' ' GLY . 84.1 t -140.1 137.32 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.441 ' N ' HG11 ' A' ' 57' ' ' VAL . . . 176.67 -155.99 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 60' ' ' LYS . 36.8 mt -129.98 145.9 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 2.5 tmtp? -33.62 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -85.51 60.46 4.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -177.33 155.35 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.42 67.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 HG21 ' CE1' ' A' ' 35' ' ' PHE . 59.2 t -54.31 -38.44 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG22 ' CE2' ' A' ' 20' ' ' TYR . 82.7 t -117.62 109.86 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -139.96 111.58 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 174.17 151.63 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.98 133.44 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -49.89 -53.2 27.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -131.25 -175.04 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -78.61 142.6 37.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 76' ' ' VAL . 21.2 m -135.18 123.21 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -44.46 95.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 77' ' ' GLU . 6.5 p -72.53 -40.25 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' VAL . 14.1 mt-10 -57.04 -21.09 28.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -107.46 -39.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 m -47.26 152.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.6 p -168.25 147.01 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.435 ' CD1' HG13 ' A' ' 48' ' ' VAL . 41.1 p-90 -112.3 170.76 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 1.9 pp -158.93 143.16 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 42.8 mt -78.52 128.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -107.27 124.51 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 47.91 30.62 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 42.52 28.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -131.24 -28.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 20.1 t -123.97 149.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.42 99.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -88.1 139.01 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 37.8 t -129.16 111.46 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -81.11 116.98 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.8 mt -110.67 116.46 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -83.16 124.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ILE . 74.7 mttt -79.41 111.03 15.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.3 mm -33.67 -36.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' LYS . 48.6 m-80 -125.29 121.62 34.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 36.6 mmtt -73.99 -17.06 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.6 mmt -97.35 32.04 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.96 142.2 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . 0.552 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 57.5 m95 -101.1 174.31 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.475 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.4 m0 -125.89 148.15 49.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -96.57 -20.88 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.422 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 13.7 ptt-85 -174.83 165.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 22' ' ' TRP . 53.6 tp -67.5 -56.82 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.2 m -137.16 151.3 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.8 p -46.36 -40.33 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.1 m -60.7 -31.97 71.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.12 161.46 73.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.52 18.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.84 146.22 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.441 HD13 ' NE2' ' A' ' 24' ' ' GLN . 6.9 pt -124.8 134.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -55.26 122.13 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.8 p -96.38 155.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -133.49 141.01 47.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.8 t -136.64 123.41 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.91 78.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.331 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.2 m -49.83 105.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.3 p -123.52 169.82 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.903 0.383 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.31 -148.58 24.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.04 128.37 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -89.45 102.89 15.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.841 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -97.8 152.68 38.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -15.63 37.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.86 -26.98 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.841 ' CE1' HD12 ' A' ' 17' ' ' LEU . 19.6 p90 -174.32 170.03 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HG2' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -126.01 142.12 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.742 ' CG ' HD23 ' A' ' 105' ' ' LEU . 51.6 p-90 -148.94 148.74 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -120.63 157.51 29.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.0 pt20 -142.2 134.69 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 p -137.14 174.08 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 101' ' ' TRP . 12.0 mt -63.9 -11.59 29.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.16 -69.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -150.87 174.19 13.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -112.75 153.25 28.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.658 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.2 t70 -136.15 139.95 43.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 32' ' ' ALA . 3.3 tp -125.28 142.91 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.659 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -135.08 107.2 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 31' ' ' LEU . 59.7 t -102.91 98.11 10.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.62 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.9 Cg_endo -69.8 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 59' ' ' LEU . 52.5 m-85 -105.97 129.05 54.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -71.48 72.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 m -119.27 158.53 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -116.89 6.63 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -127.44 -176.34 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -89.31 129.26 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 83' ' ' ILE . 91.7 mt -86.04 137.33 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -105.84 143.54 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.03 -27.97 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -83.41 -37.4 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.63 -38.73 75.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG12 HD23 ' A' ' 59' ' ' LEU . 26.8 m -96.33 159.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -129.62 97.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 57' ' ' VAL . 70.8 t -115.6 106.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.83 118.31 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 79' ' ' SER . 53.9 mt -110.4 128.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -130.22 -177.98 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -55.13 -63.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.0 ttm180 -121.5 29.47 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -146.05 134.99 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 93' ' ' LEU . 18.7 tp -137.79 141.74 40.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -139.42 140.03 37.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.543 HG22 HG13 ' A' ' 48' ' ' VAL . 74.4 t -145.5 142.52 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.26 -151.93 14.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.713 HD23 HG12 ' A' ' 46' ' ' VAL . 3.6 mt -130.95 140.5 50.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -44.24 131.42 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.29 -53.98 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' CD ' ' HD2' ' A' ' 63' ' ' PRO . 4.4 mm100 -66.73 163.08 45.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.458 ' HD2' ' CD ' ' A' ' 62' ' ' GLN . 53.2 Cg_endo -69.73 144.08 53.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.69 5.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.62 -40.08 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 20' ' ' TYR . 87.9 t -120.19 113.53 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.75 105.52 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.17 163.08 27.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.22 143.88 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.45 147.03 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.567 ' HB3' ' CE3' ' A' ' 102' ' ' TRP . 24.5 t80 -50.48 -41.53 53.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.426 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.4 t-20 -147.78 174.83 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 12.1 mt-10 -67.51 142.59 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.547 HG21 HD22 ' A' ' 93' ' ' LEU . 23.9 m -135.24 121.07 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -43.91 91.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.9 p -66.97 -42.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' VAL . 5.7 mt-10 -54.64 -14.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.11 -36.83 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.482 ' HB3' HG21 ' A' ' 50' ' ' ILE . 6.7 m -45.39 154.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 m -169.52 156.34 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.464 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -131.09 164.2 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -151.7 156.28 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 41' ' ' LEU . 35.2 mt -90.81 130.88 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -105.52 126.18 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 48.14 27.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.466 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 49.1 24.28 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.773 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.5 ptmt -127.13 -33.17 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.773 HG23 ' HG3' ' A' ' 87' ' ' LYS . 71.1 t -116.39 159.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.519 ' N ' HG12 ' A' ' 88' ' ' VAL . 38.9 t -125.4 99.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -85.62 141.15 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 81' ' ' TRP . 59.3 t -131.67 119.12 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -90.13 131.11 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.547 HD22 HG21 ' A' ' 74' ' ' VAL . 43.9 mt -120.94 116.06 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -83.42 122.83 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ASN . 63.2 mttt -78.07 112.28 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 95' ' ' LYS . 33.6 mm -37.11 -30.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LYS . 58.2 m-20 -133.25 123.0 24.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.44 3.25 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 91.0 mmm -112.58 28.39 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -128.25 143.85 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.754 ' CD1' HD21 ' A' ' 26' ' ' LEU . 43.0 m95 -114.34 142.21 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 71' ' ' TYR . 11.1 m95 -97.18 152.35 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -110.03 -10.43 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -175.3 162.7 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD23 ' CG ' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -63.4 -59.44 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.747 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.7 m -130.52 -177.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.7 p -82.09 12.58 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.554 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.6 t -107.63 -38.82 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.747 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -76.58 160.79 76.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 166.78 26.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -98.11 168.67 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.14 -147.65 13.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.28 121.01 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -82.55 109.44 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -112.99 150.99 43.75 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.81 30.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.98 -34.83 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.576 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.1 p90 -171.18 155.42 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' HG3' ' HB3' ' A' ' 32' ' ' ALA . 16.1 ptm180 -115.12 135.6 54.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.46 ' CH2' ' HA ' ' A' ' 104' ' ' ARG . 45.9 p-90 -143.07 139.14 30.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -120.05 149.02 42.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.3 pt20 -128.63 137.89 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ALA . 54.6 p -137.24 148.44 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 101' ' ' TRP . 54.6 mt -40.49 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -82.65 -67.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.9 176.68 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.826 HD23 ' H ' ' A' ' 30' ' ' ASP . 1.3 tt -112.79 167.0 10.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.826 ' H ' HD23 ' A' ' 29' ' ' LEU . 66.0 m-20 -149.77 143.66 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.19 141.74 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . . . -132.96 105.7 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.41 96.39 7.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.68 121.97 8.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.557 ' CD1' HD11 ' A' ' 59' ' ' LEU . 54.5 m-85 -105.26 124.64 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -69.07 70.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.432 HG11 HD21 ' A' ' 41' ' ' LEU . 32.6 m -114.64 147.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 18.31 21.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -140.2 -178.89 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -83.08 133.0 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD21 HG11 ' A' ' 37' ' ' VAL . 83.1 mt -87.2 135.72 33.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' ASP . 64.2 mmtt -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.2 -33.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -78.14 -34.75 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' LYS . 25.0 t0 -59.79 -42.16 92.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG12 HD23 ' A' ' 59' ' ' LEU . 34.4 m -92.81 158.31 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.94 103.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG22 HG22 ' A' ' 57' ' ' VAL . 55.2 t -122.77 114.24 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -109.06 107.2 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB3' ' A' ' 79' ' ' SER . 41.0 mt -97.73 128.27 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -127.66 -175.95 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.68 -52.75 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.4 32.65 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.0 t-80 -153.49 139.52 18.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.788 HD22 HD11 ' A' ' 93' ' ' LEU . 20.3 tp -143.31 141.54 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 12.0 ttm180 -139.51 146.35 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.57 HG22 HG22 ' A' ' 48' ' ' VAL . 95.7 t -146.72 142.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.87 -150.3 12.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.612 HD23 HG12 ' A' ' 46' ' ' VAL . 7.5 mt -135.81 136.86 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -39.9 136.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.15 -49.57 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.11 160.52 82.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' A' ' 20' ' ' TYR . 78.5 t -116.17 113.28 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -144.66 106.45 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.93 150.4 9.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.39 140.79 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' HIS . 41.4 mt -75.59 140.23 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -49.61 -44.2 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -143.31 168.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.44 145.11 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 93' ' ' LEU . 23.0 m -136.36 123.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -43.74 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.8 p -69.12 -37.53 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.77 -22.38 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -109.4 -36.74 5.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.469 ' HB3' HG21 ' A' ' 50' ' ' ILE . 58.8 m -44.88 156.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -174.37 169.62 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.432 ' HB3' HG13 ' A' ' 91' ' ' VAL . 63.2 p-90 -140.92 166.84 23.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -157.8 162.11 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.569 HG21 ' HA2' ' A' ' 86' ' ' GLY . 55.6 mt -92.4 138.94 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.0 109.82 19.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.1 26.73 10.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.569 ' HA2' HG21 ' A' ' 83' ' ' ILE . . . 50.72 25.82 9.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.833 ' HG3' HG23 ' A' ' 88' ' ' VAL . 16.7 ptmt -131.43 -43.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.833 HG23 ' HG3' ' A' ' 87' ' ' LYS . 60.3 t -103.49 159.46 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.521 ' N ' HG12 ' A' ' 88' ' ' VAL . 42.7 t -127.41 99.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 p -85.91 140.54 30.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 81' ' ' TRP . 41.5 t -129.01 113.79 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -85.7 123.5 31.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.788 HD11 HD22 ' A' ' 55' ' ' LEU . 54.6 mt -113.94 117.99 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.56 119.86 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -78.19 120.39 22.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.5 mm -45.64 -43.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.69 111.34 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -68.08 -3.79 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 87.6 mmm -116.19 34.02 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -131.87 145.24 51.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.524 ' CD1' HD21 ' A' ' 26' ' ' LEU . 59.5 m95 -103.43 162.41 13.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.491 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.3 m0 -118.08 143.39 46.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 32.4 t30 -91.62 -21.95 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 16.8 ptt180 -175.04 160.59 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.32 -58.84 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 109' ' ' ASP . 4.5 m -133.9 150.55 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.5 p -46.52 -28.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -66.68 -48.58 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.3 m-20 -60.86 161.32 15.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.17 46.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.455 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 2.6 mp0 -95.19 156.84 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.401 HD11 HE22 ' A' ' 24' ' ' GLN . 1.6 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.528 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -93.42 -133.78 6.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . . . -149.54 120.19 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.86 101.84 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.731 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.5 mt -108.72 153.69 42.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -22.39 32.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -89.9 -33.22 16.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.731 ' CD1' HD12 ' A' ' 17' ' ' LEU . 3.4 p90 -173.08 156.24 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.74 139.88 50.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.551 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 67.6 p-90 -137.88 150.65 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.1 p -122.94 156.88 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.545 ' NE2' HD11 ' A' ' 112' ' ' ILE . 16.5 pt20 -135.21 135.41 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.5 p -134.61 141.55 46.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.4 mt -37.19 -28.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -64.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.76 175.06 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.6 tt -111.07 167.24 10.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.828 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.4 t70 -149.9 149.95 31.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 HD12 ' H ' ' A' ' 32' ' ' ALA . 2.3 tp -136.98 147.36 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.541 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -137.88 112.83 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -110.06 103.82 54.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.707 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.39 12.1 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -111.68 116.86 31.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -63.46 80.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 41' ' ' LEU . 27.0 m -125.06 145.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -103.24 21.74 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -146.04 -175.43 4.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -92.05 121.96 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 37' ' ' VAL . 74.8 mt -72.07 155.82 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.4 mmpt? -123.6 142.94 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.2 -38.77 3.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.58 56.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.737 0.304 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 19.7 t0 -64.64 -40.58 95.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.677 HG12 HD23 ' A' ' 59' ' ' LEU . 34.8 m -93.49 156.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.9 t -125.83 107.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 57' ' ' VAL . 83.4 t -123.67 113.71 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.49 110.75 21.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 91' ' ' VAL . 70.5 mt -104.35 128.57 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -128.08 -178.99 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.85 -52.15 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -127.76 33.73 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.33 139.4 15.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 93' ' ' LEU . 21.5 tp -138.93 141.69 38.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -140.01 138.95 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.537 HG13 HG22 ' A' ' 48' ' ' VAL . 89.3 t -143.73 142.65 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.09 -149.04 11.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD23 HG12 ' A' ' 46' ' ' VAL . 14.1 mt -132.91 147.59 52.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -48.32 133.38 15.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.8 -49.89 2.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.49 161.05 68.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.51 57.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.619 2.212 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 119.93 6.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.32 -38.54 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.4 119.29 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -151.51 115.55 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.53 154.73 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -66.41 131.66 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.31 138.87 57.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -50.73 -44.02 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -139.28 171.2 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.88 155.82 32.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 74' ' ' VAL . 27.6 m -149.72 121.69 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -46.04 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.5 p -69.31 -40.42 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.33 -21.54 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -105.74 -39.57 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 m -45.22 147.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -163.56 149.6 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.451 ' CB ' HG22 ' A' ' 91' ' ' VAL . 39.4 p-90 -118.63 175.32 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -163.38 151.08 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.486 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 88.3 mt -85.05 129.11 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.34 122.08 45.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 46.63 35.45 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.486 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.64 32.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.441 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 88' ' ' VAL . 19.4 ptmt -134.36 -31.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.685 HG23 ' HG3' ' A' ' 87' ' ' LYS . 36.6 t -121.25 154.92 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.432 ' N ' HG12 ' A' ' 88' ' ' VAL . 78.5 t -120.35 100.57 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.8 p -89.53 139.15 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 50' ' ' ILE . 46.6 t -130.15 118.5 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 130.85 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.497 HD11 HD22 ' A' ' 55' ' ' LEU . 52.1 mt -118.86 119.64 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 123.42 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 66.8 mttt -81.36 108.53 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 95' ' ' LYS . 37.2 mm -35.25 -40.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -120.44 120.13 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.73 -22.59 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.0 mmt -93.02 32.29 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -133.73 145.52 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.514 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 55.6 m95 -107.68 172.05 7.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -126.25 141.19 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -93.98 -15.89 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -175.06 166.34 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.11 -50.91 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 109' ' ' ASP . 9.9 m -150.81 144.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' VAL . 61.8 p -33.35 -39.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.9 t -61.3 -51.18 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' VAL . 9.4 m-20 -60.61 160.98 15.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -95.57 145.14 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.545 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.6 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 -143.08 12.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.45 120.12 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.73 0.3 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.02 107.44 13.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.622 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -108.39 151.3 41.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.99 35.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -90.8 -31.99 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.622 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.4 p90 -174.43 158.1 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -114.45 132.56 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.9 p-90 -139.34 136.89 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -120.57 153.68 36.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 10.8 pt20 -132.12 133.69 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -131.21 -177.17 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 27.8 mt -82.05 16.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB3' ' OE2' ' A' ' 28' ' ' GLU . . . -127.0 -48.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -164.53 174.52 10.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.605 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.4 tt -114.0 123.24 49.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.22 137.52 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 32' ' ' ALA . 5.8 tp -134.76 134.23 40.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -134.14 116.27 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 65' ' ' VAL . 73.4 t -110.25 98.81 37.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.675 0.75 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 123.42 10.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.546 ' HB3' HG13 ' A' ' 37' ' ' VAL . 38.1 m-85 -106.85 139.95 40.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -79.85 49.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.587 HG11 HD21 ' A' ' 41' ' ' LEU . 26.1 m -90.74 152.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -115.47 18.53 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -145.16 -179.35 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -79.27 115.15 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD21 HG11 ' A' ' 37' ' ' VAL . 25.9 mt -67.79 137.62 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -111.98 139.54 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.13 -38.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -72.31 -38.65 68.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.54 -40.76 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.668 HG12 HD23 ' A' ' 59' ' ' LEU . 35.1 m -93.93 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -120.15 101.78 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.515 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 54.6 t -119.37 114.15 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -110.32 115.12 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.0 mt -105.42 132.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -130.82 176.25 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -57.14 -50.53 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -130.55 38.38 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -161.11 136.6 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD22 HD11 ' A' ' 93' ' ' LEU . 30.2 tp -134.54 144.45 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -137.37 138.42 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -144.59 143.56 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.91 -153.0 21.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.668 HD23 HG12 ' A' ' 46' ' ' VAL . 9.8 mt -131.78 138.73 48.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 1.2 tmtp? -40.54 126.99 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 84.03 -54.05 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.37 163.0 15.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.1 55.93 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 112.39 3.07 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.991 HG13 HG23 ' A' ' 66' ' ' VAL . 10.8 p -63.73 -30.66 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.991 HG23 HG13 ' A' ' 65' ' ' VAL . 48.2 t -128.91 112.65 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -148.69 105.35 3.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.56 161.27 30.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -72.5 126.61 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.06 131.36 49.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.64 -36.32 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -143.96 -179.4 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.43 146.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 93' ' ' LEU . 19.9 m -138.88 122.67 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -43.11 95.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.0 p -73.04 -40.83 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -57.59 -21.51 39.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -106.22 -39.49 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -47.04 152.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.5 p -170.4 147.3 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.67 ' CB ' HG22 ' A' ' 91' ' ' VAL . 66.2 p-90 -119.92 164.11 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.2 pp -144.72 168.82 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.712 ' N ' HD12 ' A' ' 82' ' ' LEU . 63.5 mt -102.23 117.91 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.22 129.06 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' LYS . 47.5 m-20 40.1 34.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.28 24.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.604 ' HG3' HG23 ' A' ' 88' ' ' VAL . 2.0 ptpp? -127.09 -18.64 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' A' ' 87' ' ' LYS . 7.6 t -135.16 146.51 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.5 t -114.72 98.77 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -86.82 138.4 31.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 81' ' ' TRP . 58.4 t -127.13 120.48 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -90.09 118.51 29.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 74' ' ' VAL . 26.7 mt -111.54 115.96 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.52 115.46 22.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.72 114.39 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -40.17 -34.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -124.8 111.48 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 29.3 mmtp -62.74 -32.01 73.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 32.0 mmt -86.39 28.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.23 141.31 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.567 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 48.7 m95 -106.94 154.81 20.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 9.1 m0 -112.27 148.78 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.42 -16.07 16.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -174.71 162.76 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.9 tp -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.45 146.4 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.2 p -39.53 -41.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -55.21 -47.22 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.62 161.31 71.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.13 66.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.86 144.54 25.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 56.3 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.02 -148.97 18.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.53 120.85 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.75 105.89 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -109.39 152.81 42.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -24.86 29.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -85.98 -35.89 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CD1' HD12 ' A' ' 17' ' ' LEU . 7.3 p90 -170.62 152.16 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -114.98 135.92 53.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 42.1 p-90 -141.47 138.08 32.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -119.09 147.78 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 4.1 pt20 -122.93 139.95 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 30.7 p -137.95 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.5 mt -37.3 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -67.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -150.28 177.78 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.785 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.2 m-20 -146.6 132.62 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 32' ' ' ALA . 4.6 tp -123.49 133.4 54.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.584 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -126.12 119.4 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 35' ' ' PHE . 78.7 t -114.44 95.99 41.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.7 126.34 13.24 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.712 ' CE1' HD21 ' A' ' 59' ' ' LEU . 97.0 m-85 -115.68 115.18 25.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -60.84 78.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' PHE . 23.6 m -121.25 148.3 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -105.24 10.81 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -130.96 -178.04 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -85.88 132.84 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HB2' HG21 ' A' ' 83' ' ' ILE . 22.4 mt -87.63 130.86 34.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ASP . 26.5 mmmt -108.88 135.79 49.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.45 -33.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -38.15 59.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' LYS . 63.2 m-20 -57.01 -38.14 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 HD13 ' A' ' 59' ' ' LEU . 34.1 m -102.33 167.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.32 106.54 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 74.0 t -122.6 113.91 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -106.66 117.48 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.41 HG12 HD13 ' A' ' 55' ' ' LEU . 44.5 mt -108.55 128.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -126.2 -176.97 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -59.73 -53.34 59.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.2 ttm180 -129.98 28.01 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -147.04 135.25 21.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.573 HD22 HD11 ' A' ' 93' ' ' LEU . 18.3 tp -135.43 140.37 44.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -136.49 135.03 38.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 48' ' ' VAL . 62.7 t -139.51 140.41 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.89 155.43 9.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.712 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -70.66 132.06 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LEU . 6.3 tmtm? -31.61 -72.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -78.74 58.42 4.21 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 3.7 mt-30 -175.3 165.1 2.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.44 69.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 109.07 2.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.98 -31.5 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -128.11 107.76 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -133.33 102.85 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -173.68 160.83 31.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.864 ' O ' HG23 ' A' ' 107' ' ' THR . 19.3 tt0 -82.36 125.52 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.39 146.4 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -64.5 -35.48 81.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -140.66 170.34 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 7.8 mt-10 -70.13 146.05 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.618 HG21 HD22 ' A' ' 93' ' ' LEU . 10.3 m -139.26 126.04 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -49.23 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.4 p -67.16 -42.92 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 76' ' ' VAL . 14.9 mt-10 -53.12 -19.03 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.23 -31.7 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -52.18 153.48 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -171.84 150.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CE3' HG13 ' A' ' 89' ' ' VAL . 50.0 p-90 -124.08 158.03 33.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 82' ' ' LEU . 4.4 pp -144.37 154.02 42.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 21.9 mt -91.65 117.69 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.96 133.56 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.432 ' HB3' ' CD ' ' A' ' 87' ' ' LYS . 2.7 t70 43.48 35.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.3 24.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.78 ' HG3' HG23 ' A' ' 88' ' ' VAL . 4.8 ptmt -126.74 -34.71 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.78 HG23 ' HG3' ' A' ' 87' ' ' LYS . 66.9 t -115.77 158.32 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.654 HG13 ' CE3' ' A' ' 81' ' ' TRP . 60.2 t -127.56 93.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.2 p -80.17 139.04 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 81' ' ' TRP . 21.6 t -125.12 114.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -85.76 123.23 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 74' ' ' VAL . 61.9 mt -115.13 114.24 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.42 125.0 31.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -83.67 121.84 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.2 mm -44.12 -36.47 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -120.75 121.66 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.89 -9.63 58.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 mmt -106.76 35.86 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -129.93 143.2 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.518 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 33.7 m95 -111.05 144.26 40.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.432 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 13.8 m0 -104.72 158.12 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -119.48 -8.16 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.603 HH21 HG22 ' A' ' 107' ' ' THR . 34.6 ptt180 -171.73 138.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' OD2' ' A' ' 109' ' ' ASP . 10.0 tp -52.26 -62.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.96 -177.66 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 69' ' ' GLU . 56.6 p -76.51 -19.88 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.2 m -87.59 -5.06 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.481 ' OD2' HD23 ' A' ' 105' ' ' LEU . 8.0 m-20 -103.33 158.17 32.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.92 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 4.1 mp0 -108.26 166.01 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.24 -139.78 5.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.48 120.22 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.45 107.6 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -106.53 151.87 40.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.35 37.07 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -92.84 -30.81 15.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.3 p90 -174.19 160.26 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 127.5 53.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 19.5 p-90 -135.04 135.42 41.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.4 p -118.05 159.58 22.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.709 ' NE2' HD11 ' A' ' 112' ' ' ILE . 6.7 pt20 -135.79 135.65 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ALA . 56.6 p -133.89 144.46 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.4 mt -36.16 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.24 -67.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.81 175.99 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.577 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -113.25 138.16 50.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -114.86 155.95 25.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 32' ' ' ALA . 4.2 tp -146.86 143.83 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.501 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.24 108.38 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.974 HG11 HG11 ' A' ' 65' ' ' VAL . 87.0 t -104.94 103.59 42.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo -69.77 121.94 8.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' VAL . 27.0 m-85 -106.22 113.14 26.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -62.84 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.529 HG11 HD21 ' A' ' 41' ' ' LEU . 27.9 m -127.08 148.52 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -105.0 22.6 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -146.47 -175.26 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -89.48 129.85 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.529 HD21 HG11 ' A' ' 37' ' ' VAL . 74.1 mt -85.62 131.56 34.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ASP . 23.5 mmmt -98.97 139.8 34.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.2 -39.04 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -70.9 -38.1 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.7 m-20 -58.04 -41.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.696 HG12 HD23 ' A' ' 59' ' ' LEU . 35.0 m -93.02 154.14 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.68 106.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 57' ' ' VAL . 75.2 t -122.13 113.38 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -106.12 112.94 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.544 HG22 HG23 ' A' ' 76' ' ' VAL . 79.3 mt -106.83 118.21 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -121.09 176.57 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -57.23 -51.02 71.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 ttp-105 -131.28 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.478 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.2 t-160 -162.27 125.4 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 93' ' ' LEU . 34.4 tp -124.28 141.92 51.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' H ' HD12 ' A' ' 55' ' ' LEU . 30.7 ttt180 -140.18 142.44 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 48' ' ' VAL . 98.1 t -148.69 142.28 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.09 -152.11 17.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.696 HD23 HG12 ' A' ' 46' ' ' VAL . 6.1 mt -132.2 141.55 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -40.93 135.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 -57.95 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.33 161.71 17.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.08 52.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.62 3.13 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.974 HG11 HG11 ' A' ' 33' ' ' VAL . 9.9 p -55.62 -33.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.737 HG23 HG13 ' A' ' 65' ' ' VAL . 61.1 t -129.23 118.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -154.73 117.46 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.12 160.22 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -64.3 133.03 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 54' ' ' HIS . 28.3 mt -71.88 133.74 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -42.4 -48.03 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -138.93 178.49 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -68.7 152.02 45.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 74' ' ' VAL . 22.8 m -146.72 121.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -43.51 95.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG23 HG22 ' A' ' 50' ' ' ILE . 7.5 p -73.98 -37.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.43 -23.82 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -105.17 -39.44 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -49.71 153.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -168.13 173.46 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -141.34 171.54 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 pp -158.93 146.01 17.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 41' ' ' LEU . 50.3 mt -81.68 125.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -101.72 128.09 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.7 m-20 42.57 37.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.56 27.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.531 ' HG3' HG23 ' A' ' 88' ' ' VAL . 9.5 ptpt -128.8 -27.82 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' A' ' 87' ' ' LYS . 28.9 t -125.4 158.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.486 ' N ' HG12 ' A' ' 88' ' ' VAL . 69.0 t -125.38 100.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.2 p -87.1 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.462 ' HB ' HD23 ' A' ' 31' ' ' LEU . 58.9 t -129.42 116.07 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -89.06 123.2 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.653 HD11 HD22 ' A' ' 55' ' ' LEU . 35.0 mt -112.62 117.41 32.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.29 124.64 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.4 mttt -83.19 109.1 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' LYS . 35.9 mm -33.89 -43.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -116.89 116.38 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 27.3 mmtp -69.06 -18.26 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.5 mmt -95.98 32.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -136.18 144.27 44.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.521 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 64.8 m95 -100.97 176.64 5.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 5.7 m95 -130.49 138.34 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -86.75 -24.41 25.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 31.1 ptt180 -174.91 170.28 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.455 ' HG ' HG13 ' A' ' 106' ' ' VAL . 58.6 tp -72.91 -58.36 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.455 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.6 m -133.75 145.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.1 p -39.32 -41.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.5 t -56.27 -41.93 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 106' ' ' VAL . 1.1 m-20 -65.58 159.87 64.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.83 20.32 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.16 150.58 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.709 HD11 ' NE2' ' A' ' 24' ' ' GLN . 15.6 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.901 0.382 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.18 -141.1 5.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.07 122.81 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.92 101.14 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.93 151.85 37.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.83 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -89.56 -33.07 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.692 ' CE2' HG12 ' A' ' 65' ' ' VAL . 3.3 p90 -170.4 162.15 8.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -120.08 130.71 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -139.73 138.56 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.7 p -117.86 172.02 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.2 pt20 -151.56 138.64 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 45.7 p -136.5 -175.94 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.504 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.7 mt -82.47 23.44 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 -47.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -167.06 173.81 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -110.96 135.89 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -111.94 135.65 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 32' ' ' ALA . 7.7 tp -133.54 141.31 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.511 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -141.66 112.62 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 94.3 t -102.62 98.78 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.76 127.21 14.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 37' ' ' VAL . 41.2 m-85 -112.43 152.39 28.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -92.61 46.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.579 HG11 HD21 ' A' ' 41' ' ' LEU . 21.1 m -90.05 147.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 18.99 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.37 -175.15 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -87.44 129.24 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 83' ' ' ILE . 87.2 mt -90.06 130.43 36.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.5 mmmt -100.53 144.37 29.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.93 -37.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -75.03 -37.98 61.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' LYS . 3.1 m-20 -57.4 -41.0 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 HD23 ' A' ' 59' ' ' LEU . 35.7 m -92.42 167.39 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.52 111.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.7 t -129.39 119.56 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -109.22 109.24 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 76' ' ' VAL . 78.3 mt -100.56 118.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -122.38 173.48 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -55.66 -55.68 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -124.59 39.17 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -161.66 137.4 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.799 HD22 HD11 ' A' ' 93' ' ' LEU . 22.4 tp -136.75 146.14 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.66 ' H ' HD12 ' A' ' 55' ' ' LEU . 15.9 ttm180 -139.72 139.03 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -144.12 131.03 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.76 -163.17 34.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD23 HG12 ' A' ' 46' ' ' VAL . 4.5 mt -115.7 141.72 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -46.67 141.18 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 75.72 -48.44 2.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.42 162.4 74.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.69 45.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.692 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.05 -41.96 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.531 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 79.9 t -117.57 107.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -141.28 106.4 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.23 155.08 18.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.14 126.39 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.47 142.12 55.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -56.47 -39.47 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 10.0 t-20 -140.28 174.58 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.4 148.77 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.582 HG21 HD22 ' A' ' 93' ' ' LEU . 19.5 m -141.13 122.41 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.2 95.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.431 HG23 HG22 ' A' ' 50' ' ' ILE . 6.6 p -71.67 -39.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.35 -24.39 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -103.47 -40.15 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -46.98 148.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -162.46 149.06 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.48 ' CB ' HG22 ' A' ' 91' ' ' VAL . 55.2 p-90 -121.4 169.94 10.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.3 pp -158.65 163.46 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 41' ' ' LEU . 43.2 mt -96.6 124.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -99.6 124.68 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.2 m-20 43.3 41.72 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 33.84 34.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.5 ptpt -134.95 -34.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 87' ' ' LYS . 29.9 t -119.21 155.66 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.441 ' N ' HG12 ' A' ' 88' ' ' VAL . 55.5 t -121.62 101.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.6 p -89.91 144.03 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.48 HG22 ' CB ' ' A' ' 81' ' ' TRP . 59.8 t -134.06 112.83 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -83.54 118.08 23.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.799 HD11 HD22 ' A' ' 55' ' ' LEU . 36.6 mt -111.08 119.53 39.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -84.51 125.12 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -82.22 115.88 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.62 -41.96 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 44.3 m-80 -115.33 79.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' LEU . 35.6 mttm -43.31 -28.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.6 mmt -83.76 24.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' ASN . 3.3 tp10 -131.05 143.21 50.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.504 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 73.9 m95 -97.6 168.22 10.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.452 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.8 m0 -124.29 138.89 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -87.74 -18.72 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -174.2 165.68 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.688 ' HG ' HG13 ' A' ' 106' ' ' VAL . 30.3 tp -70.13 -56.33 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.688 HG13 ' HG ' ' A' ' 105' ' ' LEU . 17.2 m -136.0 152.82 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.2 p -45.96 -31.32 2.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -68.3 -40.32 81.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.46 ' H ' HG23 ' A' ' 106' ' ' VAL . 3.8 m-20 -64.37 160.5 50.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.01 22.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -101.0 141.44 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.98 -145.82 15.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.57 120.61 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.15 114.4 21.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' CD1' ' A' ' 20' ' ' TYR . 2.2 mt -113.81 153.43 46.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.49 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -93.16 -32.48 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.1 p90 -172.36 160.05 4.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -119.0 137.14 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -142.93 143.93 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.8 p -121.9 154.93 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 15.7 pt20 -131.34 141.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.0 p -137.28 179.8 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 17.1 mt -82.26 23.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.79 -44.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -168.67 173.7 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.1 138.56 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.24 146.11 39.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.28 137.99 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.11 112.5 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.94 105.77 54.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.1 Cg_endo -69.69 122.8 9.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 37' ' ' VAL . 29.4 m-85 -109.36 113.92 27.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -62.05 81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 41' ' ' LEU . 26.9 m -129.73 146.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -105.55 26.63 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.21 -178.53 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -89.54 125.92 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 83' ' ' ILE . 87.6 mt -86.37 134.08 33.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.2 mmmt -101.16 144.28 30.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.99 -34.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -74.5 -39.22 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' LYS . 1.3 m-20 -57.35 -41.13 79.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.82 HG12 HD23 ' A' ' 59' ' ' LEU . 34.5 m -93.78 157.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -127.41 109.3 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.57 109.66 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.68 113.3 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.579 HG22 HG23 ' A' ' 76' ' ' VAL . 79.6 mt -104.67 123.23 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -124.4 173.53 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -57.15 -56.24 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.21 37.86 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.7 t60 -163.35 144.48 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 93' ' ' LEU . 18.0 tp -141.63 147.02 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -139.97 141.64 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -145.98 140.69 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.43 -151.43 19.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.82 HD23 HG12 ' A' ' 46' ' ' VAL . 6.3 mt -133.03 142.64 48.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -48.15 141.66 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -51.37 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.31 161.94 76.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.54 40.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.3 6.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG12 ' HE2' ' A' ' 20' ' ' TYR . 51.8 t -59.39 -44.91 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.16 122.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 1.5 t0 -157.7 112.71 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.86 151.35 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.68 130.62 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' HIS . 31.2 mt -66.5 138.24 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -50.63 -42.35 56.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 19.2 t-20 -142.99 166.42 24.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 72' ' ' ASN . 9.4 mt-10 -60.77 151.59 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.55 HG21 HD22 ' A' ' 93' ' ' LEU . 23.3 m -145.93 122.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -44.59 95.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG23 HG22 ' A' ' 50' ' ' ILE . 7.5 p -73.9 -35.79 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.41 -25.99 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.82 -39.27 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -48.92 153.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -166.11 172.4 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.465 ' CB ' HG22 ' A' ' 91' ' ' VAL . 44.1 p-90 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 ' OE2' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -163.25 146.97 10.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 41' ' ' LEU . 48.3 mt -83.9 125.26 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.635 ' OE2' HD11 ' A' ' 82' ' ' LEU . 26.0 mm-40 -100.55 128.95 46.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.422 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.0 OUTLIER 44.65 36.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.49 31.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 88' ' ' VAL . 12.4 ptmt -134.39 -32.64 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.581 HG23 ' HG3' ' A' ' 87' ' ' LYS . 53.9 t -118.85 153.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.418 ' N ' HG12 ' A' ' 88' ' ' VAL . 60.4 t -120.26 100.2 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -88.36 142.06 28.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' A' ' 81' ' ' TRP . 55.1 t -134.92 114.89 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -86.49 119.73 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.802 HD11 HD22 ' A' ' 55' ' ' LEU . 52.8 mt -111.19 119.43 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -86.08 124.54 32.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HD3' ' CD1' ' A' ' 102' ' ' TRP . 66.8 mttt -81.29 109.39 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.7 mm -35.22 -45.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -114.88 85.98 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 54.2 mttt -45.71 -23.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.7 mmt -87.48 30.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.2 tp10 -136.15 145.41 45.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.563 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 64.2 m95 -101.62 163.69 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.5 m0 -118.85 140.57 49.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -87.89 -20.38 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -174.84 166.19 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.598 ' HG ' HG13 ' A' ' 106' ' ' VAL . 50.7 tp -67.9 -63.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.598 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.6 m -133.01 145.36 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' VAL . 76.4 p -36.05 -34.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 106' ' ' VAL . 4.1 t -61.93 -49.23 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . 18.5 m-20 -60.44 158.94 26.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.27 22.04 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -101.85 142.11 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.9 -142.74 10.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.89 120.12 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.0 106.68 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.65 154.43 41.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -21.67 33.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.39 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -90.13 -33.63 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.607 ' CD1' HD12 ' A' ' 17' ' ' LEU . 6.5 p90 -175.14 154.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -115.33 137.19 52.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.694 ' CG ' HD12 ' A' ' 105' ' ' LEU . 19.2 p-90 -143.21 145.11 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -121.93 159.06 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.863 HE22 HD11 ' A' ' 112' ' ' ILE . 6.7 pt20 -132.47 134.38 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ALA . 46.6 p -133.8 146.97 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD21 ' NE1' ' A' ' 101' ' ' TRP . 18.7 mt -40.19 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB3' ' OE2' ' A' ' 28' ' ' GLU . . . -83.17 -67.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE2' ' HB3' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -146.27 -177.93 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.477 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 2.5 tt -119.2 127.92 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.47 146.36 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 32' ' ' ALA . 2.9 tp -137.83 145.97 42.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.626 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -141.76 114.56 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.865 HG11 HG11 ' A' ' 65' ' ' VAL . 97.2 t -110.36 96.79 28.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 123.66 10.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -107.73 142.91 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -82.76 54.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.8 HG11 HD21 ' A' ' 41' ' ' LEU . 19.8 m -100.17 152.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -112.6 18.57 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.4 -178.34 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HE ' ' N ' ' A' ' 86' ' ' GLY . 6.4 tpt180 -85.76 114.07 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.8 HD21 HG11 ' A' ' 37' ' ' VAL . 75.4 mt -67.96 138.29 55.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' LYS . 29.8 mmtt -111.09 140.17 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.46 -27.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' LYS . 18.1 pttp -81.79 -43.06 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.3 m-20 -57.46 -38.65 74.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.663 HG12 HD23 ' A' ' 59' ' ' LEU . 25.5 m -91.25 160.01 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -132.05 103.24 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG22 HG13 ' A' ' 57' ' ' VAL . 76.7 t -124.15 115.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -109.03 114.31 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.616 HG21 ' HB3' ' A' ' 79' ' ' SER . 82.5 mt -106.92 118.63 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -120.96 -175.6 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -64.54 -51.5 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -129.17 36.75 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -159.72 138.34 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 HD11 ' A' ' 93' ' ' LEU . 10.7 tp -140.21 145.76 37.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -140.14 150.77 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HG22 ' A' ' 48' ' ' VAL . 59.1 t -153.21 143.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.12 -157.46 29.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 46' ' ' VAL . 10.5 mt -128.7 135.41 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' LEU . 21.1 tptt -35.22 137.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -55.47 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.9 161.62 28.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 66' ' ' VAL . 10.9 p -61.04 -29.87 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.049 HG23 HG13 ' A' ' 65' ' ' VAL . 27.4 t -127.42 119.68 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -153.19 112.99 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.53 161.64 26.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 107' ' ' THR . 18.5 tt0 -75.61 124.38 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.421 HD13 ' CG2' ' A' ' 74' ' ' VAL . 52.2 mt -55.33 131.02 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -45.04 -38.59 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -145.08 171.32 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.56 139.88 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 74' ' ' VAL . 21.9 m -133.54 127.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -47.55 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' VAL . 3.7 p -67.7 -40.91 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.16 -21.23 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -105.33 -34.41 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.616 ' HB3' HG21 ' A' ' 50' ' ' ILE . 3.8 m -50.76 147.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -165.23 160.45 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.519 ' HB3' HG13 ' A' ' 91' ' ' VAL . 59.7 p-90 -138.26 171.2 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 83' ' ' ILE . 2.3 pp -159.94 160.05 33.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.783 HD13 ' O ' ' A' ' 41' ' ' LEU . 63.8 mt -85.89 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE2' HG21 ' A' ' 90' ' ' THR . 10.3 mt-10 -116.98 116.76 28.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.467 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 7.6 t70 59.73 25.04 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 48.37 17.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 1.5 ptpt -129.97 -11.71 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 89' ' ' VAL . 41.5 t -131.57 159.33 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.51 ' N ' HG12 ' A' ' 88' ' ' VAL . 50.8 t -128.91 105.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.455 HG21 ' OE2' ' A' ' 84' ' ' GLU . 44.9 p -95.01 131.78 40.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.534 ' HB ' HD23 ' A' ' 31' ' ' LEU . 23.3 t -121.59 122.4 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.9 t60 -94.63 114.65 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 HD22 ' A' ' 55' ' ' LEU . 63.9 mt -102.9 115.62 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -83.34 123.82 30.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.22 122.37 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.6 mm -44.18 -37.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -123.69 121.71 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -70.99 -10.03 59.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 30.5 mmt -103.74 35.33 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.16 146.26 48.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.517 ' NE1' HD21 ' A' ' 26' ' ' LEU . 55.7 m95 -109.84 160.69 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.496 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 9.7 m0 -118.38 133.9 55.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -98.03 -12.76 21.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.458 HH21 HG22 ' A' ' 107' ' ' THR . 32.3 ptt180 -168.82 126.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.785 HD23 HG13 ' A' ' 106' ' ' VAL . 6.5 tt -45.22 -49.91 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.785 HG13 HD23 ' A' ' 105' ' ' LEU . 3.2 m -145.62 163.67 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 69' ' ' GLU . 40.0 p -58.74 -12.6 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.7 m -100.48 35.4 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -141.17 152.05 63.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' O ' ' OD1' ' A' ' 109' ' ' ASP . 53.9 Cg_endo -69.81 138.96 38.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -69.58 158.61 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.863 HD11 HE22 ' A' ' 24' ' ' GLN . 9.5 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.458 ' O ' HD12 ' A' ' 112' ' ' ILE . 35.5 m-80 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.677 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -90.72 -137.16 6.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.83 125.01 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.76 98.9 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -102.59 153.9 37.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -19.48 36.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -92.22 -31.92 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.719 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.0 p90 -174.99 159.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -118.69 136.62 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -136.9 152.06 49.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.4 p -123.05 164.38 18.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 16.4 pt20 -143.95 138.41 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.2 p -136.59 179.95 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.1 mt -82.76 23.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.77 -43.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -168.64 173.39 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.2 tt -113.3 142.47 45.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.02 144.33 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 32' ' ' ALA . 5.3 tp -137.5 143.4 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.404 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -140.63 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.044 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.96 102.73 37.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.7 130.96 20.32 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.403 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB3' HG13 ' A' ' 37' ' ' VAL . 38.6 m-85 -114.58 133.79 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.49 48.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 HD21 ' A' ' 41' ' ' LEU . 33.4 m -95.64 147.53 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -109.63 26.23 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -148.36 -177.18 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -90.19 122.93 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.506 HD21 HG11 ' A' ' 37' ' ' VAL . 92.8 mt -78.74 146.21 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 45' ' ' ASP . 38.0 mmtt -118.85 141.05 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . -36.98 -40.55 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' LYS . 8.8 t0 -58.63 -40.29 82.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.806 HG12 HD23 ' A' ' 59' ' ' LEU . 34.3 m -95.72 163.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -133.35 104.7 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 96.5 t -122.65 116.96 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -111.58 109.23 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.421 HG22 HG23 ' A' ' 76' ' ' VAL . 54.7 mt -99.54 126.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -126.3 176.25 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -56.89 -58.18 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -122.04 34.67 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -156.69 142.24 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 93' ' ' LEU . 28.2 tp -142.29 141.32 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -135.32 136.8 41.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.71 143.49 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.24 -163.77 35.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 46' ' ' VAL . 11.9 mt -117.26 146.3 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 6.6 tmtt? -47.79 133.57 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 80.97 -57.31 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -63.49 162.25 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.36 37.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.78 4.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.66 -43.05 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.488 HG22 ' CE2' ' A' ' 20' ' ' TYR . 46.3 t -110.87 116.49 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -155.04 106.91 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.88 146.34 6.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.72 127.17 24.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.3 148.4 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.34 -44.94 84.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -138.45 177.89 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.67 141.15 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.736 HG21 HD22 ' A' ' 93' ' ' LEU . 22.7 m -134.94 125.97 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.73 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -71.95 -32.07 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.64 -25.98 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.4 -39.13 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -43.5 148.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -165.64 154.36 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.43 ' HB3' HG13 ' A' ' 91' ' ' VAL . 52.4 p-90 -125.91 166.84 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.8 pp -153.02 163.43 39.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 82' ' ' LEU . 69.5 mt -95.31 129.73 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -105.15 120.82 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' LYS . 4.1 m-20 46.74 37.46 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 38.53 25.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.521 ' HG3' HG23 ' A' ' 88' ' ' VAL . 8.9 ptpt -128.14 -27.69 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.521 HG23 ' HG3' ' A' ' 87' ' ' LYS . 57.4 t -124.08 159.59 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.52 ' N ' HG12 ' A' ' 88' ' ' VAL . 56.0 t -127.39 102.6 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -90.95 142.09 28.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 81' ' ' TRP . 45.1 t -130.51 113.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.17 122.97 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.779 HD11 HD22 ' A' ' 55' ' ' LEU . 58.5 mt -116.16 119.92 37.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -83.68 121.45 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -76.72 115.9 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.23 -41.59 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 100' ' ' GLU . 49.2 m-20 -116.47 81.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -43.22 -28.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.05 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 4.0 tp10 -133.95 145.25 49.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.543 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 70.6 m95 -101.99 167.8 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.489 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 8.7 m0 -122.49 140.86 52.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -93.0 -15.47 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -170.62 169.88 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HG ' HG13 ' A' ' 106' ' ' VAL . 51.6 tp -79.1 -50.17 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.516 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.5 m -136.8 -178.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.7 p -82.66 28.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -131.28 -43.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.3 154.39 87.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 139.25 39.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.66 162.13 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 14' ' ' GLY . 7.6 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.65 179.94 27.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.31 119.99 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -78.12 107.79 10.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.18 153.23 41.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.95 31.64 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.44 -34.2 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.619 ' CD1' HD12 ' A' ' 17' ' ' LEU . 11.2 p90 -171.96 157.32 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -118.81 137.01 53.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -141.51 151.51 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -125.38 168.46 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 102' ' ' TRP . 21.7 pt20 -143.14 134.54 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 27' ' ' ALA . 52.6 p -135.04 144.52 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 101' ' ' TRP . 14.3 mt -44.0 -22.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -84.42 -57.43 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.45 174.65 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.743 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -111.54 162.48 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.743 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.7 t70 -145.8 144.88 30.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.453 HD22 HD21 ' A' ' 105' ' ' LEU . 5.3 tp -135.8 132.27 36.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -123.68 118.24 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.543 ' CG1' ' CZ ' ' A' ' 35' ' ' PHE . 82.8 t -111.33 98.56 40.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.89 9.55 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CE1' HD21 ' A' ' 59' ' ' LEU . 86.6 m-85 -113.67 130.49 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.14 62.32 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 41' ' ' LEU . 30.4 m -94.47 143.76 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.55 19.86 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -148.91 179.43 7.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -82.62 125.69 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.735 HD21 HG11 ' A' ' 37' ' ' VAL . 80.1 mt -81.1 133.45 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' ASP . 19.0 mttt -111.94 142.24 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' HD11 ' A' ' 83' ' ' ILE . . . -39.0 -40.74 1.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.45 -34.12 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LYS . 77.6 m-20 -61.01 -41.56 96.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG23 ' CH2' ' A' ' 81' ' ' TRP . 32.7 m -97.25 147.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.2 t -117.64 99.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 57' ' ' VAL . 25.5 t -114.05 105.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.08 124.59 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.61 HG21 ' CB ' ' A' ' 79' ' ' SER . 76.4 mt -116.67 127.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -127.76 -179.48 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 8.0 tpp85 -51.41 -57.9 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' LEU . 10.3 ttt180 -129.13 20.65 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -131.4 133.72 45.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 93' ' ' LEU . 38.7 tp -134.48 140.25 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -139.25 131.78 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 48' ' ' VAL . 97.7 t -134.28 143.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.3 173.96 35.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -85.19 157.76 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -57.18 125.16 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.65 -51.35 4.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.83 162.23 12.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 142.6 48.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 122.66 9.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 t -67.73 -25.59 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.29 109.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -140.53 111.43 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.42 24.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 107' ' ' THR . 33.3 tt0 -72.2 116.07 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.6 mt -43.76 161.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.66 -43.35 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.443 ' CG ' ' OE2' ' A' ' 100' ' ' GLU . 36.3 t30 -139.32 170.36 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 10.8 mt-10 -67.63 134.92 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 74' ' ' VAL . 22.5 m -130.64 121.85 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -42.45 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.2 p -66.22 -40.62 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.45 -20.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -110.3 -37.96 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.61 ' CB ' HG21 ' A' ' 50' ' ' ILE . 35.9 m -40.83 150.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.7 p -168.38 179.93 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.552 ' CH2' HG23 ' A' ' 46' ' ' VAL . 46.5 p-90 -152.42 171.24 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 82' ' ' LEU . 3.6 pp -158.27 142.81 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.58 HG21 ' HB2' ' A' ' 41' ' ' LEU . 14.4 mt -80.6 125.02 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 7.4 mt-10 -102.09 144.98 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 43.5 t0 40.87 25.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 49.26 16.69 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 2.3 ptpt -127.56 -21.37 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 89' ' ' VAL . 36.3 t -120.12 159.46 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.512 ' N ' HG12 ' A' ' 88' ' ' VAL . 57.0 t -130.44 97.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.8 p -85.31 135.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.4 118.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.64 123.31 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 55' ' ' LEU . 22.2 mt -113.93 118.75 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -83.37 122.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ILE . 81.0 mttt -80.86 114.06 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' LYS . 28.6 mm -36.36 -42.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -119.81 122.93 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.68 -5.62 31.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -109.65 35.2 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' CG ' ' A' ' 72' ' ' ASN . 15.7 tt0 -132.46 138.94 47.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.614 ' CD1' HD21 ' A' ' 26' ' ' LEU . 54.1 m95 -107.34 160.05 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.59 ' CE3' HD13 ' A' ' 29' ' ' LEU . 11.9 m0 -115.45 150.36 36.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -107.56 -11.2 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -174.22 150.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.635 ' HG ' HG13 ' A' ' 106' ' ' VAL . 56.4 tp -56.93 -63.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG13 ' HG ' ' A' ' 105' ' ' LEU . 18.4 m -133.52 158.35 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 69' ' ' GLU . 40.0 p -52.3 -18.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -95.31 31.11 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -137.64 157.01 74.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 145.92 58.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.98 164.94 19.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 15.2 m-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.87 0.366 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.42 -151.49 28.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.38 120.73 8.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.89 94.41 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.749 HD12 ' CD1' ' A' ' 20' ' ' TYR . 2.2 mt -93.99 153.58 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -95.16 -30.67 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.749 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.4 p90 -173.18 161.02 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.67 133.77 55.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -137.9 147.5 44.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.7 p -124.05 166.61 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.78 135.96 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ALA . 73.0 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 14.6 mt -36.45 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.15 -64.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -151.33 178.88 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 30' ' ' ASP . 2.0 tt -110.91 162.67 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.754 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -141.39 148.72 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 32' ' ' ALA . 3.6 tp -141.68 146.9 36.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.619 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.04 115.03 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -111.83 103.26 55.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.534 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo -69.73 121.9 8.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 37' ' ' VAL . 40.5 m-85 -108.98 114.39 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -61.06 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.4 m -131.44 144.95 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -104.51 24.68 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -149.18 -177.72 5.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -86.7 123.52 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.62 137.6 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 134.5 38.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.39 -36.59 4.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -77.27 -35.82 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.68 -42.52 88.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG12 HD23 ' A' ' 59' ' ' LEU . 33.4 m -91.41 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.89 111.88 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 57' ' ' VAL . 53.4 t -127.63 93.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -91.4 119.21 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.59 HG22 HG23 ' A' ' 76' ' ' VAL . 71.8 mt -111.16 122.23 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -122.43 175.17 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -57.81 -58.8 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -119.61 37.5 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.406 ' N ' HD12 ' A' ' 70' ' ' LEU . 45.7 t-80 -161.4 145.68 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 93' ' ' LEU . 23.2 tp -145.11 142.12 29.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -140.34 136.63 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.514 HG13 HG22 ' A' ' 48' ' ' VAL . 88.6 t -141.31 141.06 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.74 -143.78 8.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.567 HD23 HG12 ' A' ' 46' ' ' VAL . 11.5 mt -132.25 152.48 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -57.87 135.62 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 -46.23 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.63 162.99 71.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.91 39.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.17 9.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG12 ' CE2' ' A' ' 20' ' ' TYR . 60.3 t -64.14 -41.32 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 78.7 t -118.67 115.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.89 110.85 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.27 155.65 13.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -66.1 134.99 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 54' ' ' HIS . 27.2 mt -70.57 135.56 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 8.7 t80 -44.72 -44.77 9.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -138.77 175.49 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.8 150.57 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG21 HD22 ' A' ' 93' ' ' LEU . 33.1 m -143.35 121.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -42.44 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.59 HG23 HG22 ' A' ' 50' ' ' ILE . 9.5 p -69.5 -33.81 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -59.31 -24.72 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -104.34 -39.32 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -42.92 147.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -166.7 153.58 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.475 ' CB ' HG22 ' A' ' 91' ' ' VAL . 29.9 p-90 -122.95 173.09 8.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 82' ' ' LEU . 2.2 pp -163.84 142.54 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 68.5 mt -80.12 126.19 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -102.26 130.58 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' LYS . 1.6 m-20 43.74 38.51 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.432 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 36.39 31.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.9 ptpt -133.74 -33.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 87' ' ' LYS . 77.7 t -116.74 159.37 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.53 ' N ' HG12 ' A' ' 88' ' ' VAL . 76.5 t -127.44 98.4 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -86.46 141.47 29.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 81' ' ' TRP . 44.4 t -131.99 112.54 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 127.21 33.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.762 HD11 HD22 ' A' ' 55' ' ' LEU . 68.8 mt -118.06 118.39 31.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 95' ' ' LYS . 8.3 tp10 -83.32 124.86 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 96' ' ' ILE . 72.9 mttt -81.75 109.91 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 95' ' ' LYS . 22.9 mm -33.75 -44.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -117.32 120.14 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -70.4 -22.82 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.4 mmt -91.47 30.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -133.49 144.56 49.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.534 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -106.43 174.2 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 7.5 m0 -126.92 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -95.06 -16.77 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -174.78 163.91 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.424 ' HG ' HG13 ' A' ' 106' ' ' VAL . 49.3 tp -70.17 -51.63 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.424 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.3 m -137.76 146.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -43.63 -42.19 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -59.63 -35.76 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 106' ' ' VAL . 1.0 OUTLIER -70.15 159.83 82.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.82 154.12 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' ASN . 8.5 pt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.54 -150.6 11.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.16 119.99 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.74 112.07 18.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.663 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -113.22 152.43 45.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.92 35.35 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -91.21 -32.18 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.663 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.0 p90 -174.81 160.34 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -117.35 133.28 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.754 ' CG ' HD12 ' A' ' 105' ' ' LEU . 14.3 p-90 -140.97 138.81 34.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -117.84 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.689 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.7 pt20 -140.38 131.06 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.7 p -132.54 145.94 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.2 mt -35.12 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -74.22 -68.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.99 176.93 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.5 tt -113.85 139.17 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.01 153.16 32.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 91' ' ' VAL . 3.5 tp -142.73 144.78 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.45 106.56 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.418 HG23 HD11 ' A' ' 31' ' ' LEU . 94.7 t -102.16 99.4 12.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.615 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.9 Cg_endo -69.79 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.48 ' HB3' HG13 ' A' ' 37' ' ' VAL . 54.0 m-85 -117.94 134.84 54.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -76.61 49.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 35' ' ' PHE . 27.6 m -94.84 134.61 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -97.24 20.38 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.84 -179.84 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -83.88 132.52 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.655 ' O ' HD13 ' A' ' 83' ' ' ILE . 71.4 mt -88.05 135.13 33.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.8 mttt -106.09 144.93 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.46 -34.56 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -31.71 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.5 m-20 -63.79 -40.34 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.626 HG12 HD23 ' A' ' 59' ' ' LEU . 34.5 m -94.99 160.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.5 t -129.96 107.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 57' ' ' VAL . 97.5 t -126.32 111.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.22 115.58 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.4 HD11 HG13 ' A' ' 91' ' ' VAL . 64.1 mt -109.37 120.62 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -122.88 179.79 4.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -57.86 -54.36 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -128.2 37.91 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.2 t-80 -157.77 129.92 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.772 HD22 HD11 ' A' ' 93' ' ' LEU . 28.2 tp -128.4 143.39 50.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.621 ' H ' HD12 ' A' ' 55' ' ' LEU . 34.8 ttt180 -140.23 141.23 35.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 48' ' ' VAL . 93.0 t -149.44 141.9 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.78 -158.81 31.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 HG12 ' A' ' 46' ' ' VAL . 4.7 mt -122.02 143.33 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -46.72 140.34 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.68 -50.1 2.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -74.16 161.38 78.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 143.31 50.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 120.62 7.38 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.741 2.294 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.6 -39.67 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.56 122.81 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -159.56 116.6 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.85 159.87 19.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 107' ' ' THR . 14.9 tt0 -67.4 117.28 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 54' ' ' HIS . 17.9 mt -52.68 134.83 35.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 15.5 t80 -43.44 -43.0 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -143.79 175.66 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.43 155.4 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 74' ' ' VAL . 21.1 m -151.54 121.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -44.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.16 -37.17 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.11 -24.93 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.19 -39.49 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -48.03 154.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -166.96 174.83 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.456 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -143.95 171.59 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.7 pp -158.38 164.07 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 41' ' ' LEU . 63.9 mt -95.48 130.53 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -106.52 115.6 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . 18.5 m-20 51.23 38.5 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.65 28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.792 ' HG3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -131.11 -29.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 87' ' ' LYS . 66.4 t -121.54 159.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.527 ' N ' HG12 ' A' ' 88' ' ' VAL . 71.5 t -127.5 101.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 p -88.45 140.03 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.464 ' HB ' HD23 ' A' ' 31' ' ' LEU . 47.6 t -133.03 113.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -84.7 127.53 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.772 HD11 HD22 ' A' ' 55' ' ' LEU . 63.0 mt -116.09 115.42 26.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.14 128.51 34.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.9 mttt -87.49 111.0 20.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 95' ' ' LYS . 36.7 mm -33.24 -40.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -120.65 117.89 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.56 -15.89 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mmt -96.99 31.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.66 140.19 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.529 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 56.4 m95 -104.15 168.45 9.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.585 ' CE3' HD13 ' A' ' 29' ' ' LEU . 7.9 m0 -125.34 133.39 52.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -84.13 -21.83 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.55 146.94 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.754 HD12 ' CG ' ' A' ' 22' ' ' TRP . 5.3 tt -47.84 -58.89 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.672 HG13 HD23 ' A' ' 105' ' ' LEU . 5.3 m -144.15 158.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 69' ' ' GLU . 67.4 p -45.86 -24.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 t -90.51 38.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.77 161.57 42.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.68 58.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -89.21 142.96 27.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.689 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.3 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -112.02 -145.99 10.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.55 119.99 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -105.4 152.86 40.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.565 0.697 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -19.41 36.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -92.85 -30.23 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 17' ' ' LEU . 6.1 p90 -174.01 165.91 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -122.6 129.3 51.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 18.3 p-90 -137.6 137.56 38.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -117.83 157.86 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.1 pt20 -134.25 134.95 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' ALA . 49.4 p -134.01 144.66 48.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 11.9 mt -36.71 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.43 -68.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -148.21 174.53 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -112.56 132.59 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -110.75 148.01 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 32' ' ' ALA . 3.1 tp -137.03 145.44 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.692 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -140.88 107.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.009 HG11 HG11 ' A' ' 65' ' ' VAL . 92.4 t -104.14 101.09 24.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.748 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.57 12.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' VAL . 43.7 m-85 -114.72 116.91 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -63.65 76.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.605 HG11 HD21 ' A' ' 41' ' ' LEU . 35.5 m -118.62 150.05 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -110.55 23.96 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -147.78 -178.21 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -89.78 114.0 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD21 HG11 ' A' ' 37' ' ' VAL . 88.2 mt -71.27 148.28 47.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASP . 10.8 mmtp -117.23 141.99 47.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.41 -35.74 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -74.83 -38.78 61.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LYS . 79.6 m-20 -57.71 -40.57 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.806 HG12 HD23 ' A' ' 59' ' ' LEU . 30.1 m -92.08 159.04 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.2 t -128.25 100.99 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.58 HG22 HG13 ' A' ' 57' ' ' VAL . 91.7 t -118.79 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.74 108.66 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.6 mt -100.07 126.02 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.86 175.53 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -59.33 -55.26 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -123.18 36.85 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.511 ' N ' HD12 ' A' ' 70' ' ' LEU . 83.1 t60 -161.74 146.28 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 93' ' ' LEU . 18.9 tp -145.9 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -140.21 137.28 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG13 HG22 ' A' ' 48' ' ' VAL . 80.2 t -140.49 144.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.01 -156.55 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 46' ' ' VAL . 9.3 mt -132.36 138.51 47.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -39.78 137.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -57.92 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -63.9 161.78 35.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.92 52.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.8 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.009 HG11 HG11 ' A' ' 33' ' ' VAL . 12.6 p -57.3 -29.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.937 HG23 HG13 ' A' ' 65' ' ' VAL . 46.9 t -133.7 123.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -161.03 111.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.4 159.19 21.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.49 132.27 52.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 54' ' ' HIS . 37.9 mt -70.31 139.19 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -49.88 -41.51 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.7 -174.99 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.94 145.43 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.623 HG21 HD22 ' A' ' 93' ' ' LEU . 20.9 m -139.04 120.06 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -42.39 97.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 p -72.65 -36.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.44 -23.64 62.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -105.71 -39.23 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 m -48.95 159.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -173.56 172.44 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.425 ' CB ' HG22 ' A' ' 91' ' ' VAL . 50.3 p-90 -142.3 170.62 15.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.629 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.5 pp -158.79 156.44 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.503 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 96.8 mt -89.43 127.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HG2' HD11 ' A' ' 82' ' ' LEU . 1.9 mm-40 -104.77 121.73 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 46.37 33.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.97 28.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.723 ' HG3' HG23 ' A' ' 88' ' ' VAL . 18.9 ptmt -130.09 -25.64 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.723 HG23 ' HG3' ' A' ' 87' ' ' LYS . 17.3 t -129.58 149.36 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.89 99.57 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.6 p -85.41 137.71 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' CB ' ' A' ' 81' ' ' TRP . 58.1 t -131.18 116.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -88.96 126.19 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.623 HD22 HG21 ' A' ' 74' ' ' VAL . 29.3 mt -115.77 117.3 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.29 120.21 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' ILE . 69.1 mttt -76.52 110.79 11.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LYS . 25.1 mm -33.76 -37.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 95' ' ' LYS . 10.3 t-20 -124.51 120.83 33.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' LEU . 42.3 mmtt -70.48 -18.0 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 19.2 mmt -96.21 32.31 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -134.35 144.18 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 49.2 m95 -103.58 170.55 7.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.49 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.0 m95 -128.69 137.68 51.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.0 -19.58 23.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 20.2 ptt-85 -174.31 163.71 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 tp -68.95 -54.61 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.491 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.4 m -131.75 179.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.1 p -83.85 28.17 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -122.4 -50.14 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.491 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -59.51 162.73 7.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.39 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.82 154.08 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.447 HD11 ' NE2' ' A' ' 24' ' ' GLN . 8.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.22 -141.34 8.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.69 119.98 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -83.89 108.73 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.8 mt -108.12 152.37 41.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.52 36.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -92.24 -32.22 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.697 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.8 p90 -171.84 159.8 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -118.57 134.89 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -141.5 142.61 33.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -117.73 173.73 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.7 pt20 -154.36 136.33 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.5 p -133.93 -175.32 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.705 HD21 ' NE1' ' A' ' 101' ' ' TRP . 23.8 mt -81.82 26.11 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.96 -52.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -161.45 175.36 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.53 133.86 55.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.84 136.01 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 HD11 HG23 ' A' ' 33' ' ' VAL . 3.0 tp -131.34 133.8 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.49 111.66 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.717 HG11 HG11 ' A' ' 65' ' ' VAL . 91.2 t -104.96 102.32 35.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.69 121.85 8.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -108.8 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -65.53 76.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.89 146.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -105.53 24.59 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -145.87 -178.19 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HD3' ' NZ ' ' A' ' 42' ' ' LYS . 4.6 ttt85 -90.99 126.31 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.5 mt -80.76 148.49 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.424 ' NZ ' ' HD3' ' A' ' 40' ' ' ARG . 15.6 mmtm -110.77 148.8 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.23 34.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -81.92 -31.27 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -40.91 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.654 HG12 ' CD2' ' A' ' 59' ' ' LEU . 27.4 m -92.16 150.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.32 104.7 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.83 106.62 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -102.77 114.12 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.0 mt -106.5 115.51 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -117.09 173.24 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -60.46 -52.22 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -123.07 37.75 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.8 t60 -165.34 144.79 6.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 93' ' ' LEU . 30.6 tp -139.21 145.87 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' H ' HD12 ' A' ' 55' ' ' LEU . 62.0 ttt180 -140.22 141.75 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -149.1 143.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.05 -155.52 26.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.654 ' CD2' HG12 ' A' ' 46' ' ' VAL . 20.3 mt -128.88 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -48.35 138.94 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.88 -57.37 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.33 162.05 36.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.44 54.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.767 HG13 HG23 ' A' ' 66' ' ' VAL . 11.9 p -50.65 -34.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG23 HG13 ' A' ' 65' ' ' VAL . 62.1 t -130.55 117.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -154.05 110.68 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.07 156.5 15.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.16 131.04 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 54' ' ' HIS . 30.9 mt -69.81 133.54 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -44.32 -43.31 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -141.07 170.64 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.64 147.09 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.74 HG21 HD22 ' A' ' 93' ' ' LEU . 17.9 m -140.3 124.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.55 95.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 -39.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.78 -23.29 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.51 -40.03 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -49.2 149.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -167.83 147.56 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CB ' HG22 ' A' ' 91' ' ' VAL . 36.0 p-90 -115.87 171.65 7.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.522 HD11 ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp -160.13 141.51 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 97.1 mt -76.85 127.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' OE2' HD11 ' A' ' 82' ' ' LEU . 24.6 mm-40 -105.09 123.61 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.428 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 38.6 m-20 45.69 34.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.16 28.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.6 ptmt -129.61 -28.66 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.586 HG23 ' HG3' ' A' ' 87' ' ' LYS . 34.4 t -124.76 156.56 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.454 ' N ' HG12 ' A' ' 88' ' ' VAL . 74.4 t -123.34 97.35 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -85.16 135.68 33.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 81' ' ' TRP . 44.0 t -128.01 111.44 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -84.06 117.77 23.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.873 HD11 HD22 ' A' ' 55' ' ' LEU . 46.9 mt -110.13 117.33 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -83.51 121.58 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -76.79 117.2 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -45.96 -38.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' GLU . 9.5 m120 -118.93 80.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -42.48 -27.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.9 mmt -86.47 29.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 2.5 tp10 -137.27 146.94 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.705 ' NE1' HD21 ' A' ' 26' ' ' LEU . 82.5 m95 -100.54 171.73 7.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.3 m0 -124.44 143.26 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.91 -23.28 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -172.34 170.72 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.22 -46.38 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.07 164.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.7 p -54.32 -32.34 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.9 p -82.22 40.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -146.88 159.59 42.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.728 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.74 57.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.61 141.99 28.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.9 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.26 -148.53 11.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.49 120.09 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.56 105.33 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -106.44 152.65 40.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.862 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.01 35.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 -32.6 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.0 p90 -175.16 157.72 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -113.68 133.67 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 22' ' ' TRP . 18.1 p-90 -142.38 143.58 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -124.27 161.77 25.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.569 ' NE2' HD11 ' A' ' 112' ' ' ILE . 6.9 pt20 -134.62 137.28 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . 67.8 p -134.31 144.25 48.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.6 mt -38.58 -26.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -81.75 -66.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.19 174.3 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.3 tt -111.75 136.32 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.17 151.9 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD23 ' HB ' ' A' ' 91' ' ' VAL . 2.9 tp -142.65 144.34 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -138.78 113.1 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.804 HG11 HG11 ' A' ' 65' ' ' VAL . 57.6 t -110.63 102.14 51.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.4 12.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.3 m-85 -114.13 114.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -61.86 79.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.932 HG11 HD21 ' A' ' 41' ' ' LEU . 34.5 m -120.63 152.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -105.99 13.27 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -146.79 -175.48 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -82.66 121.5 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.932 HD21 HG11 ' A' ' 37' ' ' VAL . 71.9 mt -68.9 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.0 mmmt -95.97 136.01 36.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.35 -38.17 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -69.37 -40.97 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 5.6 m-20 -58.07 -38.89 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 59' ' ' LEU . 26.8 m -94.48 153.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.621 HG21 ' HE3' ' A' ' 60' ' ' LYS . 87.7 t -126.03 95.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 57' ' ' VAL . 79.6 t -114.64 110.18 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -108.71 114.31 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.416 HG21 ' HB3' ' A' ' 79' ' ' SER . 45.6 mt -105.67 125.19 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -125.84 178.46 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' NH1' HG12 ' A' ' 76' ' ' VAL . 23.4 tpp180 -58.37 -54.14 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -128.14 39.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -160.44 134.86 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.422 HD22 HD21 ' A' ' 93' ' ' LEU . 35.7 tp -135.9 139.55 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -140.15 139.08 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.531 HG13 HG22 ' A' ' 48' ' ' VAL . 78.3 t -144.93 147.57 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.45 -152.39 21.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 60' ' ' LYS . 17.9 mt -131.56 129.33 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.621 ' HE3' HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -31.99 -72.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.12 50.52 2.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -175.83 164.65 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.47 66.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.804 HG11 HG11 ' A' ' 33' ' ' VAL . 8.5 p -48.69 -32.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.765 HG23 HG13 ' A' ' 65' ' ' VAL . 47.3 t -130.45 120.8 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -152.66 106.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.55 152.37 9.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 107' ' ' THR . 39.5 tt0 -59.72 139.8 56.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 mt -74.63 140.39 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.92 -44.03 50.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -142.65 172.77 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.47 144.72 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 74' ' ' VAL . 33.2 m -137.77 120.82 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -44.01 91.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.7 p -65.56 -41.64 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.89 -19.46 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.35 -36.12 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 50' ' ' ILE . 4.4 m -50.72 151.1 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -170.23 148.4 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.424 ' CB ' HG22 ' A' ' 91' ' ' VAL . 41.3 p-90 -120.32 167.82 11.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 pp -155.21 150.23 26.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 41' ' ' LEU . 85.5 mt -84.85 126.15 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.18 131.22 51.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 87' ' ' LYS . 33.8 m-20 41.38 32.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.06 22.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.636 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.6 ptmt -127.11 -15.77 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.636 HG23 ' HG3' ' A' ' 87' ' ' LYS . 21.8 t -136.15 154.44 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.411 ' N ' HG12 ' A' ' 88' ' ' VAL . 25.9 t -120.81 100.94 9.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -88.34 138.65 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.485 ' HB ' HD23 ' A' ' 31' ' ' LEU . 43.1 t -129.77 115.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.0 123.9 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.422 HD21 HD22 ' A' ' 55' ' ' LEU . 26.8 mt -112.09 117.35 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.43 123.72 29.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -81.57 117.46 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.6 mm -42.48 -36.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -124.4 118.26 26.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.07 -16.51 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.72 32.44 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -133.26 142.08 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.492 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -103.77 164.93 11.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 7.7 m0 -122.91 141.2 52.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -96.91 -14.62 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 -173.08 161.33 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.669 ' HG ' HG13 ' A' ' 106' ' ' VAL . 21.4 tp -69.67 -59.21 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.669 HG13 ' HG ' ' A' ' 105' ' ' LEU . 12.4 m -130.1 -177.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 69' ' ' GLU . 82.1 p -84.24 26.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -120.11 -43.8 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.51 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -69.63 162.37 67.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.23 35.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.312 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -91.77 160.29 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.569 HD11 ' NE2' ' A' ' 24' ' ' GLN . 6.8 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.9 -146.37 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.55 120.07 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.74 109.05 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.706 HD12 ' CE1' ' A' ' 20' ' ' TYR . 2.0 mt -112.44 151.3 43.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.722 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -21.86 33.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -89.59 -34.15 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.706 ' CE1' HD12 ' A' ' 17' ' ' LEU . 2.7 p90 -174.3 150.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 141.65 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.2 p-90 -146.82 145.83 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -122.03 164.69 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -138.66 132.83 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ALA . 59.7 p -131.14 143.46 50.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -41.29 -24.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -83.87 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.52 177.43 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -113.63 155.41 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.624 ' N ' HD23 ' A' ' 29' ' ' LEU . 8.3 m-20 -134.13 149.04 51.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG23 ' A' ' 33' ' ' VAL . 3.1 tp -139.81 146.36 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.579 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -139.97 106.0 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.661 HG23 HD11 ' A' ' 31' ' ' LEU . 92.8 t -107.82 104.77 54.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.723 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.604 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.4 Cg_endo -69.82 122.46 9.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -97.89 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -87.26 82.93 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 41' ' ' LEU . 32.5 m -140.15 153.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -110.44 20.26 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.92 179.32 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -85.35 119.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 37' ' ' VAL . 61.4 mt -74.58 139.28 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mmmt -101.14 136.71 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -77.2 -36.61 54.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.4 m-20 -58.47 -40.84 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.692 HG12 HD23 ' A' ' 59' ' ' LEU . 34.3 m -94.97 153.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.97 107.4 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG13 HG22 ' A' ' 57' ' ' VAL . 73.8 t -122.63 95.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.66 121.33 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 79' ' ' SER . 62.7 mt -113.25 123.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -123.38 -176.08 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.2 tpp85 -64.44 -58.3 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -122.25 36.92 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 70' ' ' LEU . 38.3 t-80 -159.9 138.75 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 56' ' ' ARG . 15.5 tp -139.08 138.8 37.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' H ' HD12 ' A' ' 55' ' ' LEU . 35.3 ttt180 -137.13 131.92 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG22 HG13 ' A' ' 48' ' ' VAL . 53.4 t -134.94 154.35 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 153.13 -151.0 22.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD23 HG12 ' A' ' 46' ' ' VAL . 60.0 mt -119.59 160.81 21.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.857 0.36 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -60.07 131.02 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.11 -55.9 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -57.2 162.24 4.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.66 23.82 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 t -63.55 -38.87 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.45 116.43 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -151.1 108.32 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 146.1 5.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -53.47 133.6 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 54' ' ' HIS . 43.4 mt -71.5 142.3 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -49.2 -55.68 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -128.22 174.7 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -71.14 151.61 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.578 HG21 HD22 ' A' ' 93' ' ' LEU . 31.1 m -143.58 127.32 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -46.98 89.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -64.92 -37.29 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.91 -22.09 46.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.89 -32.21 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.557 ' HB3' HG21 ' A' ' 50' ' ' ILE . 18.7 m -47.08 150.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -165.84 173.53 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.603 ' HB3' HG13 ' A' ' 91' ' ' VAL . 40.2 p-90 -146.63 170.15 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.6 pp -162.17 140.56 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -78.92 123.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.6 mm-40 -99.13 143.8 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 41.3 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 48.57 17.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.51 -18.2 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 34' ' ' PRO . 61.9 t -122.24 157.54 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.494 ' N ' HG12 ' A' ' 88' ' ' VAL . 54.4 t -126.65 98.67 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.5 p -90.69 141.59 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' HB3' ' A' ' 81' ' ' TRP . 22.2 t -133.3 120.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -88.83 131.56 35.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.578 HD22 HG21 ' A' ' 74' ' ' VAL . 45.9 mt -119.74 116.7 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -83.66 118.82 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' CE ' ' CD1' ' A' ' 102' ' ' TRP . 72.8 mttt -75.38 120.11 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -44.53 -39.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -118.52 114.32 22.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -68.62 -9.46 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 11.8 mmt -105.84 36.23 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.0 tp10 -137.16 146.53 45.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.43 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 50.5 m95 -105.7 168.82 8.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.432 ' CD1' ' CE ' ' A' ' 95' ' ' LYS . 8.0 m95 -122.57 146.7 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -100.27 -16.87 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 107' ' ' THR . 37.2 ptt180 -174.76 156.88 2.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 56.1 tp -62.4 -54.06 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.499 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.7 m -133.52 179.17 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.422 HG22 HH21 ' A' ' 104' ' ' ARG . 20.8 p -83.99 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.5 t -122.76 -45.61 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.499 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -68.38 161.99 65.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.829 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.56 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.88 165.47 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.45 -135.39 8.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.7 121.91 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.19 111.45 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.712 HD12 ' CE1' ' A' ' 20' ' ' TYR . 5.0 mt -113.29 153.28 45.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -89.75 -34.77 16.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.712 ' CE1' HD12 ' A' ' 17' ' ' LEU . 2.5 p90 -169.06 161.17 10.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -120.54 131.03 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.7 p-90 -138.1 144.61 40.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.3 p -117.75 176.08 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' HD11 ' A' ' 112' ' ' ILE . 26.1 pt20 -152.27 139.44 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.9 p -136.11 177.65 7.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.573 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 31.6 mt -80.95 17.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.96 -44.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -168.64 -179.66 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -111.0 158.71 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -140.04 115.0 9.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 32' ' ' ALA . 5.0 tp -112.43 140.8 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.708 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -136.84 119.68 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.054 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.784 HG11 HG11 ' A' ' 65' ' ' VAL . 92.3 t -112.45 100.04 48.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.5 Cg_endo -69.73 121.99 8.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -111.42 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -67.06 72.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m -115.64 148.58 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -109.43 26.42 10.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.4 -177.99 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -87.21 127.98 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 83' ' ' ILE . 54.5 mt -84.34 139.44 32.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -104.77 146.96 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.61 -36.65 4.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -76.43 -36.27 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.04 -39.46 72.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.776 HG12 HD23 ' A' ' 59' ' ' LEU . 30.1 m -95.48 164.36 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.44 108.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 56' ' ' ARG . 99.1 t -127.69 120.7 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.77 103.91 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.2 mt -94.52 128.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -130.87 179.55 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -62.75 -52.72 62.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 -126.0 34.5 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -158.13 142.87 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 93' ' ' LEU . 26.7 tp -141.1 148.26 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.624 ' H ' HD12 ' A' ' 55' ' ' LEU . 17.8 ttm180 -140.19 143.38 36.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -148.31 139.7 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.78 -167.84 40.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.776 HD23 HG12 ' A' ' 46' ' ' VAL . 19.1 mt -117.05 137.87 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -33.53 132.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 76.09 -56.37 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -57.22 162.38 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.96 61.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.037 HG13 HG23 ' A' ' 66' ' ' VAL . 10.4 p -48.37 -29.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.037 HG23 HG13 ' A' ' 65' ' ' VAL . 42.0 t -130.78 115.9 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 5.8 p-10 -153.16 106.41 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.39 147.71 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -54.71 131.95 44.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.33 148.04 50.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.01 -40.07 72.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -142.47 -178.69 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.7 154.34 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.778 HG21 HD22 ' A' ' 93' ' ' LEU . 18.8 m -146.81 123.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -46.28 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.6 p -70.57 -38.18 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.2 -21.89 60.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -106.03 -38.8 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -46.22 155.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.6 p -172.48 141.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.547 ' HB3' HG13 ' A' ' 91' ' ' VAL . 51.6 p-90 -111.72 171.73 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 pp -158.78 168.76 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.68 HD13 ' O ' ' A' ' 41' ' ' LEU . 72.3 mt -100.55 127.3 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' A' ' 82' ' ' LEU . 30.8 mm-40 -105.0 124.76 50.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' CB ' ' HG2' ' A' ' 87' ' ' LYS . 22.6 m-20 45.32 34.32 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.36 29.44 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.743 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.6 ptmt -131.33 -29.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 87' ' ' LYS . 22.7 t -122.93 156.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.451 ' N ' HG12 ' A' ' 88' ' ' VAL . 94.1 t -123.0 98.96 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -86.84 143.21 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.547 HG13 ' HB3' ' A' ' 81' ' ' TRP . 28.1 t -130.09 107.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -76.95 116.49 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 74' ' ' VAL . 33.5 mt -111.08 121.98 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.93 118.88 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.41 116.63 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.1 mm -44.25 -38.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -120.36 107.13 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' LEU . 17.6 mmtp -59.33 -33.06 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 7.8 mmt -84.63 29.69 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.25 137.55 52.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.573 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 60.1 m95 -102.8 167.61 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.403 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 8.8 m0 -124.0 140.14 53.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.32 -17.22 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -172.24 167.11 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 57.2 tp -69.74 -52.61 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.63 -176.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.2 p -83.95 25.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -125.45 -35.7 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.77 155.01 94.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.566 0.698 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.1 52.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.298 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.65 155.88 36.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.495 HD11 ' NE2' ' A' ' 24' ' ' GLN . 5.5 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.29 -150.45 25.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.93 120.81 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.5 110.28 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -111.88 152.87 44.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.11 31.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -87.77 -34.56 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.607 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.8 p90 -172.38 159.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HG3' ' HB3' ' A' ' 32' ' ' ALA . 18.1 ptt180 -116.65 134.41 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.555 ' HB3' HD12 ' A' ' 31' ' ' LEU . 30.7 p-90 -139.92 135.39 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -118.54 140.97 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.733 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.3 pt20 -116.24 137.13 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.3 p -135.36 144.62 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.7 mt -37.81 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.3 -65.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.35 176.6 11.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -112.92 127.58 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.98 117.09 31.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 22' ' ' TRP . 6.3 tp -104.43 150.82 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . . . -141.23 115.18 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HG11 ' A' ' 65' ' ' VAL . 59.8 t -116.4 105.55 50.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 111.082 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 122.73 9.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 3.3 m-30 -99.11 113.33 25.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -61.65 82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 35' ' ' PHE . 35.1 m -140.87 154.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -111.83 24.28 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.4 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 29.9 p90 -141.92 -174.96 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -92.73 124.96 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' HB2' HG21 ' A' ' 83' ' ' ILE . 34.9 mt -76.96 155.01 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 24.3 mmtt -119.67 133.55 55.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.81 -35.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -74.97 -38.68 61.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 42' ' ' LYS . 83.3 m-20 -59.15 -40.45 85.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -92.76 148.65 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.6 t -124.23 97.79 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 57' ' ' VAL . 43.0 t -115.36 99.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.68 117.41 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.553 HG21 ' HB3' ' A' ' 79' ' ' SER . 70.1 mt -107.64 115.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -113.34 -177.27 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -63.23 -56.21 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -123.69 36.22 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -159.3 142.79 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 93' ' ' LEU . 14.8 tp -144.61 144.98 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -139.28 145.63 39.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 48' ' ' VAL . 83.3 t -146.15 140.08 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.79 166.89 14.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD2' ' CE2' ' A' ' 35' ' ' PHE . 4.4 mm? -75.64 135.38 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' LEU . 1.4 tmtp? -34.29 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -80.76 57.14 4.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 mt-30 -168.36 166.41 7.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 62' ' ' GLN . 53.7 Cg_endo -69.73 137.0 34.49 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.045 HG13 HG23 ' A' ' 66' ' ' VAL . 7.2 p -55.75 -29.7 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.045 HG23 HG13 ' A' ' 65' ' ' VAL . 47.9 t -127.47 111.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.96 109.18 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.06 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.79 132.33 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.61 148.31 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -55.7 -50.64 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -137.34 -178.55 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -72.13 140.73 49.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.582 HG21 HD22 ' A' ' 93' ' ' LEU . 18.8 m -134.41 120.99 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -42.09 93.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -68.77 -40.41 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -58.16 -21.65 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' OE1' ' A' ' 94' ' ' GLU . 18.1 mm-40 -106.25 -33.44 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.553 ' HB3' HG21 ' A' ' 50' ' ' ILE . 5.7 m -48.12 155.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -174.5 151.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CB ' HG22 ' A' ' 91' ' ' VAL . 58.2 p-90 -123.89 171.61 9.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.29 144.71 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 41' ' ' LEU . 10.4 mt -85.81 113.54 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.67 133.37 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 31.2 t0 56.3 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 19.5 0.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 9.4 ptpt -131.7 -28.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.24 146.08 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.66 102.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.8 p -95.58 127.34 41.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 81' ' ' TRP . 60.9 t -113.21 120.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -91.33 113.73 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 74' ' ' VAL . 36.5 mt -105.86 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 2.3 tt0 -83.34 125.13 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' ILE . 73.6 mttt -81.79 113.58 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' LYS . 17.8 mm -34.09 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' LYS . 44.3 t30 -124.58 126.56 46.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -75.41 -14.2 60.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.3 mmt -100.74 35.82 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -135.48 145.17 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 44.4 m95 -106.34 165.76 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.493 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.2 m95 -120.67 141.08 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -94.12 -19.65 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -175.1 156.01 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.577 ' HG ' HG13 ' A' ' 106' ' ' VAL . 36.2 tp -61.3 -65.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.577 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.9 m -128.35 150.28 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.0 p -42.01 -29.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 t -71.04 -45.22 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.466 ' H ' HG23 ' A' ' 106' ' ' VAL . 5.2 m-20 -59.97 156.04 39.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.47 67.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.02 148.93 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.733 HD11 ' NE2' ' A' ' 24' ' ' GLN . 5.4 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 15.1 m120 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.52 -147.76 20.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.12 121.22 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.79 109.73 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -111.12 150.82 42.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -20.09 35.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -89.79 -32.75 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CE2' HG22 ' A' ' 66' ' ' VAL . 5.1 p90 -174.45 153.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -110.24 136.31 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 48.2 p-90 -142.85 137.44 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -122.43 147.86 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' A' ' 112' ' ' ILE . 8.0 pt20 -124.57 127.41 47.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.6 p -125.23 143.73 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -37.09 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.97 -67.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -150.58 177.41 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -111.17 140.51 45.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.64 117.24 24.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.816 HD12 ' H ' ' A' ' 32' ' ' ALA . 6.1 tp -105.33 148.12 27.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.816 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.21 112.73 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.6 t -109.42 103.71 53.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.735 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.8 121.96 8.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 26.3 m-85 -107.29 111.8 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -60.71 76.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' PHE . 33.6 m -123.23 149.61 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -109.32 25.97 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -145.96 -176.8 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -90.92 128.06 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.63 150.52 25.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.2 mmtp -122.82 140.12 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.45 -38.88 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 45' ' ' ASP . 1.6 pptp? -75.14 -36.52 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.464 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 26.5 t0 -60.17 -38.67 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.704 HG12 ' CD2' ' A' ' 59' ' ' LEU . 34.9 m -96.24 152.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' NH2' ' A' ' 56' ' ' ARG . 53.3 t -119.4 113.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.12 120.32 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.25 104.3 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.5 mt -93.42 131.61 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -128.15 178.19 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.76 -52.04 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -125.54 34.97 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.442 ' N ' HD12 ' A' ' 70' ' ' LEU . 12.5 t-80 -161.23 149.9 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.605 HD22 HD11 ' A' ' 93' ' ' LEU . 18.2 tp -146.59 147.25 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' H ' HD12 ' A' ' 55' ' ' LEU . 33.3 ttp180 -139.12 136.74 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' VAL . 84.1 t -140.1 137.32 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.67 -155.99 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.704 ' CD2' HG12 ' A' ' 46' ' ' VAL . 36.8 mt -129.98 145.9 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 2.5 tmtp? -33.62 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -85.51 60.46 4.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.499 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 2.8 mt-30 -177.33 155.35 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.42 67.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' VAL . 59.2 t -54.31 -38.44 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 20' ' ' TYR . 82.7 t -117.62 109.86 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -139.96 111.58 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 174.17 151.63 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.98 133.44 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 54' ' ' HIS . 25.3 mt -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -49.89 -53.2 27.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -131.25 -175.04 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -78.61 142.6 37.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.873 HG21 HD22 ' A' ' 93' ' ' LEU . 21.2 m -135.18 123.21 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -44.46 95.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -72.53 -40.25 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -57.04 -21.09 28.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -107.46 -39.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 m -47.26 152.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.6 p -168.25 147.01 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.436 ' HB3' HG13 ' A' ' 91' ' ' VAL . 41.1 p-90 -112.3 170.76 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.9 pp -158.93 143.16 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 42.8 mt -78.52 128.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.56 ' HG2' HD11 ' A' ' 82' ' ' LEU . 1.7 mm-40 -107.27 124.51 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' CB ' ' HG2' ' A' ' 87' ' ' LYS . 75.8 m-20 47.91 30.62 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.485 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 42.52 28.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.54 ' HG3' HG23 ' A' ' 88' ' ' VAL . 9.0 ptpt -131.24 -28.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.54 HG23 ' HG3' ' A' ' 87' ' ' LYS . 20.1 t -123.97 149.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.42 99.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -88.1 139.01 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.436 HG13 ' HB3' ' A' ' 81' ' ' TRP . 37.8 t -129.16 111.46 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -81.11 116.98 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.873 HD22 HG21 ' A' ' 74' ' ' VAL . 44.8 mt -110.67 116.46 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -83.16 124.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ILE . 74.7 mttt -79.41 111.03 15.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.3 mm -33.67 -36.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' LYS . 19.6 m120 -125.29 121.62 34.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 36.6 mmtt -73.99 -17.06 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.6 mmt -97.35 32.04 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.96 142.2 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.556 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 57.5 m95 -101.1 174.31 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.475 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.4 m0 -125.89 148.15 49.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -96.57 -20.88 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.433 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 13.7 ptt-85 -174.83 165.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HG ' HG13 ' A' ' 106' ' ' VAL . 53.6 tp -67.5 -56.82 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.562 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.2 m -137.16 151.3 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.8 p -46.36 -40.33 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.1 m -60.7 -31.97 71.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.12 161.46 73.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.52 18.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.84 146.22 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 24' ' ' GLN . 6.9 pt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -93.79 177.03 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -105.21 128.77 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 -92.93 0.49 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -111.6 99.65 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -65.21 -40.29 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.0 112.2 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 144.7 30.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -107.58 176.49 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -44.84 -34.36 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -93.01 37.29 3.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.3 m-80 36.9 31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.383 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -96.31 -148.58 24.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.04 128.37 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -89.45 102.89 15.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.841 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -97.8 152.68 38.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -15.63 37.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.86 -26.98 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.841 ' CE1' HD12 ' A' ' 17' ' ' LEU . 19.6 p90 -174.32 170.03 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HG2' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -126.01 142.12 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.742 ' CG ' HD23 ' A' ' 105' ' ' LEU . 51.6 p-90 -148.94 148.74 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -120.63 157.51 29.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.0 pt20 -142.2 134.69 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 p -137.14 174.08 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 101' ' ' TRP . 12.0 mt -63.9 -11.59 29.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.16 -69.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -150.87 174.19 13.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -112.75 153.25 28.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.658 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.2 t70 -136.15 139.95 43.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 32' ' ' ALA . 3.3 tp -125.28 142.91 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.659 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -135.08 107.2 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 31' ' ' LEU . 59.7 t -102.91 98.11 10.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.62 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.9 Cg_endo -69.8 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 59' ' ' LEU . 52.5 m-85 -105.97 129.05 54.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -71.48 72.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 m -119.27 158.53 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -116.89 6.63 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -127.44 -176.34 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -89.31 129.26 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 83' ' ' ILE . 91.7 mt -86.04 137.33 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -105.84 143.54 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.03 -27.97 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -83.41 -37.4 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.63 -38.73 75.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG12 HD23 ' A' ' 59' ' ' LEU . 26.8 m -96.33 159.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -129.62 97.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 57' ' ' VAL . 70.8 t -115.6 106.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.83 118.31 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 79' ' ' SER . 53.9 mt -110.4 128.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -130.22 -177.98 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -55.13 -63.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.0 ttm180 -121.5 29.47 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -146.05 134.99 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 93' ' ' LEU . 18.7 tp -137.79 141.74 40.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -139.42 140.03 37.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.543 HG22 HG13 ' A' ' 48' ' ' VAL . 74.4 t -145.5 142.52 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.26 -151.93 14.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.713 HD23 HG12 ' A' ' 46' ' ' VAL . 3.6 mt -130.95 140.5 50.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -44.24 131.42 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.29 -53.98 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' CD ' ' HD2' ' A' ' 63' ' ' PRO . 4.4 mm100 -66.73 163.08 45.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.458 ' HD2' ' CD ' ' A' ' 62' ' ' GLN . 53.2 Cg_endo -69.73 144.08 53.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.69 5.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.62 -40.08 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 20' ' ' TYR . 87.9 t -120.19 113.53 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.75 105.52 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.17 163.08 27.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.22 143.88 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.45 147.03 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' HB3' ' CE3' ' A' ' 102' ' ' TRP . 24.5 t80 -50.48 -41.53 53.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.426 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 2.4 t-20 -147.78 174.83 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 12.1 mt-10 -67.51 142.59 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.547 HG21 HD22 ' A' ' 93' ' ' LEU . 23.9 m -135.24 121.07 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -43.91 91.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.9 p -66.97 -42.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' VAL . 5.7 mt-10 -54.64 -14.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.11 -36.83 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.482 ' HB3' HG21 ' A' ' 50' ' ' ILE . 6.7 m -45.39 154.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 m -169.52 156.34 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.464 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -131.09 164.2 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -151.7 156.28 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 41' ' ' LEU . 35.2 mt -90.81 130.88 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -105.52 126.18 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 48.14 27.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.466 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 49.1 24.28 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.773 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.5 ptmt -127.13 -33.17 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.773 HG23 ' HG3' ' A' ' 87' ' ' LYS . 71.1 t -116.39 159.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.519 ' N ' HG12 ' A' ' 88' ' ' VAL . 38.9 t -125.4 99.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -85.62 141.15 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 81' ' ' TRP . 59.3 t -131.67 119.12 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -90.13 131.11 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.547 HD22 HG21 ' A' ' 74' ' ' VAL . 43.9 mt -120.94 116.06 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -83.42 122.83 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ASN . 63.2 mttt -78.07 112.28 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 95' ' ' LYS . 33.6 mm -37.11 -30.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LYS . 58.2 m-20 -133.25 123.0 24.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.44 3.25 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 91.0 mmm -112.58 28.39 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -128.25 143.85 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.754 ' CD1' HD21 ' A' ' 26' ' ' LEU . 43.0 m95 -114.34 142.21 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 71' ' ' TYR . 11.1 m95 -97.18 152.35 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -110.03 -10.43 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -175.3 162.7 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD23 ' CG ' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -63.4 -59.44 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.747 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.7 m -130.52 -177.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.7 p -82.09 12.58 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.554 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.6 t -107.63 -38.82 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.747 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -76.58 160.79 76.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 166.78 26.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -98.11 168.67 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 114' ' ' THR . 1.2 pt -136.56 138.9 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.65 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 112' ' ' ILE . 41.2 p -55.39 -45.11 76.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -92.18 155.43 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.4 p -154.21 152.94 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 125.83 150.79 7.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -13.3 34.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.324 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.3 p -55.72 143.61 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -66.62 -44.25 82.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.553 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -59.13 159.44 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -138.19 114.59 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.67 169.31 23.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -97.65 -48.79 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -97.12 108.71 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.12 168.81 28.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -119.3 152.38 52.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -129.44 174.72 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.87 -47.22 21.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -80.22 39.64 2.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' GLY . 56.4 m-80 36.38 38.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.14 -147.65 13.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.28 121.01 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -82.55 109.44 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -112.99 150.99 43.75 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.81 30.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.98 -34.83 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.576 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.1 p90 -171.18 155.42 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' HG3' ' HB3' ' A' ' 32' ' ' ALA . 16.1 ptm180 -115.12 135.6 54.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.46 ' CH2' ' HA ' ' A' ' 104' ' ' ARG . 45.9 p-90 -143.07 139.14 30.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -120.05 149.02 42.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.3 pt20 -128.63 137.89 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ALA . 54.6 p -137.24 148.44 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 101' ' ' TRP . 54.6 mt -40.49 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -82.65 -67.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.9 176.68 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.826 HD23 ' H ' ' A' ' 30' ' ' ASP . 1.3 tt -112.79 167.0 10.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.826 ' H ' HD23 ' A' ' 29' ' ' LEU . 66.0 m-20 -149.77 143.66 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.19 141.74 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . . . -132.96 105.7 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.41 96.39 7.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.68 121.97 8.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.557 ' CD1' HD11 ' A' ' 59' ' ' LEU . 54.5 m-85 -105.26 124.64 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -69.07 70.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.432 HG11 HD21 ' A' ' 41' ' ' LEU . 32.6 m -114.64 147.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 18.31 21.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -140.2 -178.89 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -83.08 133.0 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD21 HG11 ' A' ' 37' ' ' VAL . 83.1 mt -87.2 135.72 33.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' ASP . 64.2 mmtt -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.2 -33.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -78.14 -34.75 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' LYS . 25.0 t0 -59.79 -42.16 92.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG12 HD23 ' A' ' 59' ' ' LEU . 34.4 m -92.81 158.31 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.94 103.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG22 HG22 ' A' ' 57' ' ' VAL . 55.2 t -122.77 114.24 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -109.06 107.2 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB3' ' A' ' 79' ' ' SER . 41.0 mt -97.73 128.27 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -127.66 -175.95 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.68 -52.75 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.4 32.65 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.0 t-80 -153.49 139.52 18.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.788 HD22 HD11 ' A' ' 93' ' ' LEU . 20.3 tp -143.31 141.54 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 12.0 ttm180 -139.51 146.35 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.57 HG22 HG22 ' A' ' 48' ' ' VAL . 95.7 t -146.72 142.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.87 -150.3 12.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.612 HD23 HG12 ' A' ' 46' ' ' VAL . 7.5 mt -135.81 136.86 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -39.9 136.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.15 -49.57 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.11 160.52 82.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' A' ' 20' ' ' TYR . 78.5 t -116.17 113.28 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -144.66 106.45 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.93 150.4 9.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.39 140.79 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' HIS . 41.4 mt -75.59 140.23 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -49.61 -44.2 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -143.31 168.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.44 145.11 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 93' ' ' LEU . 23.0 m -136.36 123.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -43.74 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.8 p -69.12 -37.53 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.77 -22.38 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -109.4 -36.74 5.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.469 ' HB3' HG21 ' A' ' 50' ' ' ILE . 58.8 m -44.88 156.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -174.37 169.62 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.432 ' HB3' HG13 ' A' ' 91' ' ' VAL . 63.2 p-90 -140.92 166.84 23.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -157.8 162.11 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.569 HG21 ' HA2' ' A' ' 86' ' ' GLY . 55.6 mt -92.4 138.94 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.0 109.82 19.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.1 26.73 10.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.569 ' HA2' HG21 ' A' ' 83' ' ' ILE . . . 50.72 25.82 9.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.833 ' HG3' HG23 ' A' ' 88' ' ' VAL . 16.7 ptmt -131.43 -43.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.833 HG23 ' HG3' ' A' ' 87' ' ' LYS . 60.3 t -103.49 159.46 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.521 ' N ' HG12 ' A' ' 88' ' ' VAL . 42.7 t -127.41 99.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 p -85.91 140.54 30.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 81' ' ' TRP . 41.5 t -129.01 113.79 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -85.7 123.5 31.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.788 HD11 HD22 ' A' ' 55' ' ' LEU . 54.6 mt -113.94 117.99 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.56 119.86 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -78.19 120.39 22.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.5 mm -45.64 -43.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.69 111.34 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -68.08 -3.79 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 87.6 mmm -116.19 34.02 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -131.87 145.24 51.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.524 ' CD1' HD21 ' A' ' 26' ' ' LEU . 59.5 m95 -103.43 162.41 13.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.491 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.3 m0 -118.08 143.39 46.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 32.4 t30 -91.62 -21.95 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 16.8 ptt180 -175.04 160.59 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.32 -58.84 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 109' ' ' ASP . 4.5 m -133.9 150.55 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.5 p -46.52 -28.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -66.68 -48.58 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.3 m-20 -60.86 161.32 15.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.17 46.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.455 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 2.6 mp0 -95.19 156.84 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.401 HD11 HE22 ' A' ' 24' ' ' GLN . 1.6 pt -133.72 128.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -46.02 117.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.442 HG23 ' OD1' ' A' ' 103' ' ' ASN . 34.6 p -102.71 143.84 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -153.12 134.27 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.5 p -144.99 120.63 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -121.41 89.11 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 p -166.09 158.17 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -112.05 148.87 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -103.85 -59.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -110.04 42.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.25 54.47 4.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t 55.95 41.76 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -112.04 142.11 44.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.37 77.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.19 152.17 75.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.91 36.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.567 ' OD1' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER -112.4 -75.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 10' ' ' ASN . 3.3 mm? -128.12 -29.87 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -124.45 67.43 0.51 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' GLY . 26.3 m-80 34.46 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.528 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -93.42 -133.78 6.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . . . -149.54 120.19 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.86 101.84 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.731 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.5 mt -108.72 153.69 42.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -22.39 32.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -89.9 -33.22 16.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.731 ' CD1' HD12 ' A' ' 17' ' ' LEU . 3.4 p90 -173.08 156.24 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.74 139.88 50.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.551 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 67.6 p-90 -137.88 150.65 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.567 HG22 ' OD1' ' A' ' 10' ' ' ASN . 68.1 p -122.94 156.88 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.545 ' NE2' HD11 ' A' ' 112' ' ' ILE . 16.5 pt20 -135.21 135.41 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.5 p -134.61 141.55 46.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.4 mt -37.19 -28.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -64.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.76 175.06 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.6 tt -111.07 167.24 10.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.828 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.4 t70 -149.9 149.95 31.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 HD12 ' H ' ' A' ' 32' ' ' ALA . 2.3 tp -136.98 147.36 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -137.88 112.83 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -110.06 103.82 54.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.707 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.39 12.1 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -111.68 116.86 31.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -63.46 80.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 41' ' ' LEU . 27.0 m -125.06 145.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -103.24 21.74 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -146.04 -175.43 4.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -92.05 121.96 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 37' ' ' VAL . 74.8 mt -72.07 155.82 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.4 mmpt? -123.6 142.94 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.2 -38.77 3.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.58 56.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.737 0.304 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 19.7 t0 -64.64 -40.58 95.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.677 HG12 HD23 ' A' ' 59' ' ' LEU . 34.8 m -93.49 156.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.9 t -125.83 107.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 57' ' ' VAL . 83.4 t -123.67 113.71 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.49 110.75 21.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 91' ' ' VAL . 70.5 mt -104.35 128.57 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -128.08 -178.99 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.85 -52.15 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -127.76 33.73 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.33 139.4 15.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 93' ' ' LEU . 21.5 tp -138.93 141.69 38.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -140.01 138.95 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.537 HG13 HG22 ' A' ' 48' ' ' VAL . 89.3 t -143.73 142.65 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.09 -149.04 11.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD23 HG12 ' A' ' 46' ' ' VAL . 14.1 mt -132.91 147.59 52.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -48.32 133.38 15.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.8 -49.89 2.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.49 161.05 68.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.51 57.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.619 2.212 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 119.93 6.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.32 -38.54 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.4 119.29 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -151.51 115.55 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.53 154.73 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -66.41 131.66 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.31 138.87 57.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -50.73 -44.02 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -139.28 171.2 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.88 155.82 32.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 74' ' ' VAL . 27.6 m -149.72 121.69 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -46.04 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.5 p -69.31 -40.42 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.33 -21.54 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -105.74 -39.57 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 m -45.22 147.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -163.56 149.6 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.451 ' CB ' HG22 ' A' ' 91' ' ' VAL . 39.4 p-90 -118.63 175.32 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -163.38 151.08 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.486 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 88.3 mt -85.05 129.11 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.34 122.08 45.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 46.63 35.45 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.486 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.64 32.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.441 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 88' ' ' VAL . 19.4 ptmt -134.36 -31.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.685 HG23 ' HG3' ' A' ' 87' ' ' LYS . 36.6 t -121.25 154.92 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.432 ' N ' HG12 ' A' ' 88' ' ' VAL . 78.5 t -120.35 100.57 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.8 p -89.53 139.15 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 50' ' ' ILE . 46.6 t -130.15 118.5 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 130.85 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.497 HD11 HD22 ' A' ' 55' ' ' LEU . 52.1 mt -118.86 119.64 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 123.42 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 66.8 mttt -81.36 108.53 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 95' ' ' LYS . 37.2 mm -35.25 -40.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -120.44 120.13 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.73 -22.59 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.0 mmt -93.02 32.29 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -133.73 145.52 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.514 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 55.6 m95 -107.68 172.05 7.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -126.25 141.19 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -93.98 -15.89 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -175.06 166.34 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.11 -50.91 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 109' ' ' ASP . 9.9 m -150.81 144.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' VAL . 61.8 p -33.35 -39.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.9 t -61.3 -51.18 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' VAL . 9.4 m-20 -60.61 160.98 15.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -95.57 145.14 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.545 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.6 pt -120.2 133.22 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -56.23 121.7 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.9 p -100.31 113.87 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -106.85 100.46 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.3 p -68.92 125.3 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -146.36 81.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 98.69 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 t -80.31 98.0 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.5 t -67.31 113.01 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -106.17 103.54 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -85.61 42.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.7 66.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -86.1 110.77 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -151.95 143.99 23.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.58 95.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -129.7 148.09 68.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 138.65 38.44 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -106.54 -178.9 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mp -51.81 -44.44 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -79.69 41.5 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 12' ' ' GLY . 67.8 m-80 35.28 33.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -104.17 -143.08 12.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.45 120.12 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.73 0.3 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.02 107.44 13.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.622 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -108.39 151.3 41.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.99 35.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -90.8 -31.99 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.622 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.4 p90 -174.43 158.1 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -114.45 132.56 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.9 p-90 -139.34 136.89 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -120.57 153.68 36.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 10.8 pt20 -132.12 133.69 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -131.21 -177.17 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 27.8 mt -82.05 16.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB3' ' OE2' ' A' ' 28' ' ' GLU . . . -127.0 -48.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -164.53 174.52 10.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.605 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.4 tt -114.0 123.24 49.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.22 137.52 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 32' ' ' ALA . 5.8 tp -134.76 134.23 40.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -134.14 116.27 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 65' ' ' VAL . 73.4 t -110.25 98.81 37.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.675 0.75 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 123.42 10.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.546 ' HB3' HG13 ' A' ' 37' ' ' VAL . 38.1 m-85 -106.85 139.95 40.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -79.85 49.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.587 HG11 HD21 ' A' ' 41' ' ' LEU . 26.1 m -90.74 152.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -115.47 18.53 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -145.16 -179.35 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -79.27 115.15 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD21 HG11 ' A' ' 37' ' ' VAL . 25.9 mt -67.79 137.62 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -111.98 139.54 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.13 -38.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -72.31 -38.65 68.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.54 -40.76 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.668 HG12 HD23 ' A' ' 59' ' ' LEU . 35.1 m -93.93 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -120.15 101.78 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.515 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 54.6 t -119.37 114.15 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -110.32 115.12 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.0 mt -105.42 132.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -130.82 176.25 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -57.14 -50.53 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -130.55 38.38 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -161.11 136.6 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD22 HD11 ' A' ' 93' ' ' LEU . 30.2 tp -134.54 144.45 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -137.37 138.42 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -144.59 143.56 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.91 -153.0 21.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.668 HD23 HG12 ' A' ' 46' ' ' VAL . 9.8 mt -131.78 138.73 48.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 1.2 tmtp? -40.54 126.99 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 84.03 -54.05 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.37 163.0 15.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.1 55.93 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 112.39 3.07 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.991 HG13 HG23 ' A' ' 66' ' ' VAL . 10.8 p -63.73 -30.66 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.991 HG23 HG13 ' A' ' 65' ' ' VAL . 48.2 t -128.91 112.65 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -148.69 105.35 3.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.56 161.27 30.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -72.5 126.61 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.06 131.36 49.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.64 -36.32 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -143.96 -179.4 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.43 146.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 93' ' ' LEU . 19.9 m -138.88 122.67 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -43.11 95.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.0 p -73.04 -40.83 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -57.59 -21.51 39.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -106.22 -39.49 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -47.04 152.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.5 p -170.4 147.3 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.67 ' CB ' HG22 ' A' ' 91' ' ' VAL . 66.2 p-90 -119.92 164.11 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.2 pp -144.72 168.82 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.712 ' N ' HD12 ' A' ' 82' ' ' LEU . 63.5 mt -102.23 117.91 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.22 129.06 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' LYS . 47.5 m-20 40.1 34.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.28 24.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.604 ' HG3' HG23 ' A' ' 88' ' ' VAL . 2.0 ptpp? -127.09 -18.64 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' A' ' 87' ' ' LYS . 7.6 t -135.16 146.51 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.5 t -114.72 98.77 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -86.82 138.4 31.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 81' ' ' TRP . 58.4 t -127.13 120.48 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -90.09 118.51 29.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 74' ' ' VAL . 26.7 mt -111.54 115.96 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.52 115.46 22.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.72 114.39 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -40.17 -34.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -124.8 111.48 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 29.3 mmtp -62.74 -32.01 73.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 32.0 mmt -86.39 28.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.23 141.31 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.567 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 48.7 m95 -106.94 154.81 20.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 9.1 m0 -112.27 148.78 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.42 -16.07 16.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -174.71 162.76 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.9 tp -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.45 146.4 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.2 p -39.53 -41.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -55.21 -47.22 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.62 161.31 71.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.13 66.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.86 144.54 25.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.3 pt -120.98 140.06 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -53.84 141.02 28.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.4 p -127.9 149.28 50.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -147.36 132.02 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 t -115.66 131.18 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.08 139.75 9.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.86 4.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 t -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.1 p -135.28 123.16 22.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -69.96 131.08 43.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -109.09 92.34 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.72 77.01 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -109.49 146.93 33.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -139.23 152.3 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 105.82 3.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -115.07 153.14 47.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 53.8 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 168.18 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp -46.17 -38.62 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.96 35.9 2.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 56.3 m-80 41.47 34.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.02 -148.97 18.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.53 120.85 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.75 105.89 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -109.39 152.81 42.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -24.86 29.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -85.98 -35.89 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CD1' HD12 ' A' ' 17' ' ' LEU . 7.3 p90 -170.62 152.16 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -114.98 135.92 53.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 42.1 p-90 -141.47 138.08 32.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -119.09 147.78 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 4.1 pt20 -122.93 139.95 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 30.7 p -137.95 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.5 mt -37.3 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -67.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -150.28 177.78 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.785 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.2 m-20 -146.6 132.62 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 32' ' ' ALA . 4.6 tp -123.49 133.4 54.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.584 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -126.12 119.4 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 35' ' ' PHE . 78.7 t -114.44 95.99 41.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.7 126.34 13.24 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.712 ' CE1' HD21 ' A' ' 59' ' ' LEU . 97.0 m-85 -115.68 115.18 25.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -60.84 78.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' PHE . 23.6 m -121.25 148.3 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -105.24 10.81 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -130.96 -178.04 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -85.88 132.84 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HB2' HG21 ' A' ' 83' ' ' ILE . 22.4 mt -87.63 130.86 34.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ASP . 26.5 mmmt -108.88 135.79 49.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.45 -33.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -38.15 59.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' LYS . 63.2 m-20 -57.01 -38.14 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 HD13 ' A' ' 59' ' ' LEU . 34.1 m -102.33 167.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.32 106.54 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 74.0 t -122.6 113.91 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -106.66 117.48 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.41 HG12 HD13 ' A' ' 55' ' ' LEU . 44.5 mt -108.55 128.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -126.2 -176.97 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -59.73 -53.34 59.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.2 ttm180 -129.98 28.01 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -147.04 135.25 21.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.573 HD22 HD11 ' A' ' 93' ' ' LEU . 18.3 tp -135.43 140.37 44.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -136.49 135.03 38.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 48' ' ' VAL . 62.7 t -139.51 140.41 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.89 155.43 9.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -70.66 132.06 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LEU . 6.3 tmtm? -31.61 -72.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -78.74 58.42 4.21 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 3.7 mt-30 -175.3 165.1 2.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.44 69.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 109.07 2.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.98 -31.5 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -128.11 107.76 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -133.33 102.85 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -173.68 160.83 31.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.864 ' O ' HG23 ' A' ' 107' ' ' THR . 19.3 tt0 -82.36 125.52 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.39 146.4 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -64.5 -35.48 81.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -140.66 170.34 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 7.8 mt-10 -70.13 146.05 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.618 HG21 HD22 ' A' ' 93' ' ' LEU . 10.3 m -139.26 126.04 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -49.23 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.4 p -67.16 -42.92 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 76' ' ' VAL . 14.9 mt-10 -53.12 -19.03 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.23 -31.7 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -52.18 153.48 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -171.84 150.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CE3' HG13 ' A' ' 89' ' ' VAL . 50.0 p-90 -124.08 158.03 33.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 82' ' ' LEU . 4.4 pp -144.37 154.02 42.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 21.9 mt -91.65 117.69 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.96 133.56 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.432 ' HB3' ' CD ' ' A' ' 87' ' ' LYS . 2.7 t70 43.48 35.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.3 24.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.78 ' HG3' HG23 ' A' ' 88' ' ' VAL . 4.8 ptmt -126.74 -34.71 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.78 HG23 ' HG3' ' A' ' 87' ' ' LYS . 66.9 t -115.77 158.32 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.654 HG13 ' CE3' ' A' ' 81' ' ' TRP . 60.2 t -127.56 93.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.2 p -80.17 139.04 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 81' ' ' TRP . 21.6 t -125.12 114.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -85.76 123.23 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 74' ' ' VAL . 61.9 mt -115.13 114.24 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.42 125.0 31.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -83.67 121.84 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.2 mm -44.12 -36.47 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -120.75 121.66 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.89 -9.63 58.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 mmt -106.76 35.86 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -129.93 143.2 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.518 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 33.7 m95 -111.05 144.26 40.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.432 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 13.8 m0 -104.72 158.12 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -119.48 -8.16 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.603 HH21 HG22 ' A' ' 107' ' ' THR . 34.6 ptt180 -171.73 138.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' OD2' ' A' ' 109' ' ' ASP . 10.0 tp -52.26 -62.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.96 -177.66 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 69' ' ' GLU . 56.6 p -76.51 -19.88 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.2 m -87.59 -5.06 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' OD2' HD23 ' A' ' 105' ' ' LEU . 8.0 m-20 -103.33 158.17 32.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.92 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 4.1 mp0 -108.26 166.01 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 pt -139.24 124.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -49.53 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.6 p -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -65.04 -57.91 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.2 m 62.3 42.12 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.01 179.1 27.76 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 156.07 64.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -106.35 90.99 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m 52.33 43.56 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -94.48 105.87 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -77.82 121.44 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.92 149.2 5.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -125.73 -50.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -56.19 -44.14 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.28 149.63 21.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -130.64 151.01 78.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 179.71 3.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.315 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -142.0 -175.1 4.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.4 mt -76.54 48.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.96 32.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 46.54 40.06 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.24 -139.78 5.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.48 120.22 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.45 107.6 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -106.53 151.87 40.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.35 37.07 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -92.84 -30.81 15.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.3 p90 -174.19 160.26 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 127.5 53.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 19.5 p-90 -135.04 135.42 41.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.4 p -118.05 159.58 22.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.709 ' NE2' HD11 ' A' ' 112' ' ' ILE . 6.7 pt20 -135.79 135.65 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ALA . 56.6 p -133.89 144.46 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.4 mt -36.16 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.24 -67.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.81 175.99 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.577 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -113.25 138.16 50.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -114.86 155.95 25.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 32' ' ' ALA . 4.2 tp -146.86 143.83 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.501 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.24 108.38 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.974 HG11 HG11 ' A' ' 65' ' ' VAL . 87.0 t -104.94 103.59 42.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo -69.77 121.94 8.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' VAL . 27.0 m-85 -106.22 113.14 26.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -62.84 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.529 HG11 HD21 ' A' ' 41' ' ' LEU . 27.9 m -127.08 148.52 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -105.0 22.6 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -146.47 -175.26 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -89.48 129.85 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.529 HD21 HG11 ' A' ' 37' ' ' VAL . 74.1 mt -85.62 131.56 34.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ASP . 23.5 mmmt -98.97 139.8 34.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.2 -39.04 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -70.9 -38.1 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.7 m-20 -58.04 -41.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.696 HG12 HD23 ' A' ' 59' ' ' LEU . 35.0 m -93.02 154.14 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.68 106.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 57' ' ' VAL . 75.2 t -122.13 113.38 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -106.12 112.94 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.544 HG22 HG23 ' A' ' 76' ' ' VAL . 79.3 mt -106.83 118.21 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -121.09 176.57 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -57.23 -51.02 71.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 ttp-105 -131.28 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.478 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.2 t-160 -162.27 125.4 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 93' ' ' LEU . 34.4 tp -124.28 141.92 51.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' H ' HD12 ' A' ' 55' ' ' LEU . 30.7 ttt180 -140.18 142.44 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 48' ' ' VAL . 98.1 t -148.69 142.28 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.09 -152.11 17.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.696 HD23 HG12 ' A' ' 46' ' ' VAL . 6.1 mt -132.2 141.55 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -40.93 135.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 -57.95 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.33 161.71 17.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.08 52.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.62 3.13 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.974 HG11 HG11 ' A' ' 33' ' ' VAL . 9.9 p -55.62 -33.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.737 HG23 HG13 ' A' ' 65' ' ' VAL . 61.1 t -129.23 118.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -154.73 117.46 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.12 160.22 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -64.3 133.03 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 54' ' ' HIS . 28.3 mt -71.88 133.74 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -42.4 -48.03 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -138.93 178.49 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -68.7 152.02 45.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 74' ' ' VAL . 22.8 m -146.72 121.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -43.51 95.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG23 HG22 ' A' ' 50' ' ' ILE . 7.5 p -73.98 -37.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.43 -23.82 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -105.17 -39.44 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -49.71 153.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -168.13 173.46 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -141.34 171.54 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 pp -158.93 146.01 17.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 41' ' ' LEU . 50.3 mt -81.68 125.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -101.72 128.09 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.7 m-20 42.57 37.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.56 27.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.531 ' HG3' HG23 ' A' ' 88' ' ' VAL . 9.5 ptpt -128.8 -27.82 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' A' ' 87' ' ' LYS . 28.9 t -125.4 158.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.486 ' N ' HG12 ' A' ' 88' ' ' VAL . 69.0 t -125.38 100.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.2 p -87.1 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.462 ' HB ' HD23 ' A' ' 31' ' ' LEU . 58.9 t -129.42 116.07 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -89.06 123.2 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.653 HD11 HD22 ' A' ' 55' ' ' LEU . 35.0 mt -112.62 117.41 32.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.29 124.64 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.4 mttt -83.19 109.1 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' LYS . 35.9 mm -33.89 -43.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -116.89 116.38 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 27.3 mmtp -69.06 -18.26 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.5 mmt -95.98 32.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -136.18 144.27 44.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.521 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 64.8 m95 -100.97 176.64 5.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 5.7 m95 -130.49 138.34 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -86.75 -24.41 25.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 31.1 ptt180 -174.91 170.28 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.455 ' HG ' HG13 ' A' ' 106' ' ' VAL . 58.6 tp -72.91 -58.36 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.455 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.6 m -133.75 145.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.1 p -39.32 -41.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.5 t -56.27 -41.93 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 106' ' ' VAL . 1.1 m-20 -65.58 159.87 64.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.83 20.32 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.16 150.58 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.709 HD11 ' NE2' ' A' ' 24' ' ' GLN . 15.6 pt -133.77 136.09 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -54.56 119.45 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 112' ' ' ILE . 72.7 p -110.52 129.18 55.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.32 153.03 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.8 t -132.83 124.48 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.42 144.33 15.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.8 Cg_endo -69.8 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 118' ' ' PRO . 2.9 t -33.5 134.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' SER . 26.6 t -36.66 124.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -135.66 157.54 46.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -70.23 170.13 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 -45.17 45.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -112.56 86.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -57.08 -48.93 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.61 124.53 6.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -101.92 140.28 21.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 97.99 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.742 2.294 . . . . 0.0 112.342 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -65.57 -174.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.55 43.61 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.31 32.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.34 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.18 -141.1 5.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.07 122.81 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.92 101.14 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.93 151.85 37.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.83 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -89.56 -33.07 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.692 ' CE2' HG12 ' A' ' 65' ' ' VAL . 3.3 p90 -170.4 162.15 8.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -120.08 130.71 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -139.73 138.56 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.7 p -117.86 172.02 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.2 pt20 -151.56 138.64 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 45.7 p -136.5 -175.94 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.504 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.7 mt -82.47 23.44 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 -47.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -167.06 173.81 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -110.96 135.89 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -111.94 135.65 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 32' ' ' ALA . 7.7 tp -133.54 141.31 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.511 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -141.66 112.62 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 94.3 t -102.62 98.78 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.76 127.21 14.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 37' ' ' VAL . 41.2 m-85 -112.43 152.39 28.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -92.61 46.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.579 HG11 HD21 ' A' ' 41' ' ' LEU . 21.1 m -90.05 147.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 18.99 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.37 -175.15 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -87.44 129.24 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 83' ' ' ILE . 87.2 mt -90.06 130.43 36.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.5 mmmt -100.53 144.37 29.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.93 -37.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -75.03 -37.98 61.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' LYS . 3.1 m-20 -57.4 -41.0 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 HD23 ' A' ' 59' ' ' LEU . 35.7 m -92.42 167.39 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.52 111.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.7 t -129.39 119.56 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -109.22 109.24 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 76' ' ' VAL . 78.3 mt -100.56 118.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -122.38 173.48 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -55.66 -55.68 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -124.59 39.17 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -161.66 137.4 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.799 HD22 HD11 ' A' ' 93' ' ' LEU . 22.4 tp -136.75 146.14 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.66 ' H ' HD12 ' A' ' 55' ' ' LEU . 15.9 ttm180 -139.72 139.03 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -144.12 131.03 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.76 -163.17 34.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD23 HG12 ' A' ' 46' ' ' VAL . 4.5 mt -115.7 141.72 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -46.67 141.18 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 75.72 -48.44 2.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.42 162.4 74.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.69 45.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.692 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.05 -41.96 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.531 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 79.9 t -117.57 107.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -141.28 106.4 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.23 155.08 18.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.14 126.39 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.47 142.12 55.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -56.47 -39.47 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 10.0 t-20 -140.28 174.58 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.4 148.77 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.582 HG21 HD22 ' A' ' 93' ' ' LEU . 19.5 m -141.13 122.41 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.2 95.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.431 HG23 HG22 ' A' ' 50' ' ' ILE . 6.6 p -71.67 -39.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.35 -24.39 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -103.47 -40.15 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -46.98 148.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -162.46 149.06 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.48 ' CB ' HG22 ' A' ' 91' ' ' VAL . 55.2 p-90 -121.4 169.94 10.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.3 pp -158.65 163.46 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 41' ' ' LEU . 43.2 mt -96.6 124.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -99.6 124.68 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.2 m-20 43.3 41.72 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 33.84 34.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.5 ptpt -134.95 -34.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 87' ' ' LYS . 29.9 t -119.21 155.66 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.441 ' N ' HG12 ' A' ' 88' ' ' VAL . 55.5 t -121.62 101.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.6 p -89.91 144.03 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.48 HG22 ' CB ' ' A' ' 81' ' ' TRP . 59.8 t -134.06 112.83 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -83.54 118.08 23.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.799 HD11 HD22 ' A' ' 55' ' ' LEU . 36.6 mt -111.08 119.53 39.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -84.51 125.12 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -82.22 115.88 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.62 -41.96 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 44.3 m-80 -115.33 79.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' LEU . 35.6 mttm -43.31 -28.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.6 mmt -83.76 24.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' ASN . 3.3 tp10 -131.05 143.21 50.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.504 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 73.9 m95 -97.6 168.22 10.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.452 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.8 m0 -124.29 138.89 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -87.74 -18.72 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -174.2 165.68 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.688 ' HG ' HG13 ' A' ' 106' ' ' VAL . 30.3 tp -70.13 -56.33 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.688 HG13 ' HG ' ' A' ' 105' ' ' LEU . 17.2 m -136.0 152.82 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.2 p -45.96 -31.32 2.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -68.3 -40.32 81.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.46 ' H ' HG23 ' A' ' 106' ' ' VAL . 3.8 m-20 -64.37 160.5 50.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.01 22.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -101.0 141.44 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.1 pt -131.88 134.89 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -64.91 120.34 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.7 p -91.8 -43.39 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -41.47 140.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.3 t -159.22 166.8 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 174.75 -167.12 39.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -2.57 10.38 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.5 m -45.68 114.24 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.1 t -76.51 145.96 38.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.9 t -35.68 -53.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -116.85 133.91 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.89 91.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -155.38 150.98 27.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -72.52 -61.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 152.34 55.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -91.35 -176.6 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.735 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -55.98 -41.25 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.99 35.64 2.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 41.99 34.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.98 -145.82 15.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.57 120.61 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.15 114.4 21.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' CD1' ' A' ' 20' ' ' TYR . 2.2 mt -113.81 153.43 46.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.49 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -93.16 -32.48 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.1 p90 -172.36 160.05 4.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -119.0 137.14 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -142.93 143.93 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.8 p -121.9 154.93 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 15.7 pt20 -131.34 141.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.0 p -137.28 179.8 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 17.1 mt -82.26 23.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.79 -44.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -168.67 173.7 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.1 138.56 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.24 146.11 39.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.28 137.99 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.11 112.5 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.94 105.77 54.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.1 Cg_endo -69.69 122.8 9.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 37' ' ' VAL . 29.4 m-85 -109.36 113.92 27.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -62.05 81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 41' ' ' LEU . 26.9 m -129.73 146.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -105.55 26.63 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.21 -178.53 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -89.54 125.92 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 83' ' ' ILE . 87.6 mt -86.37 134.08 33.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.2 mmmt -101.16 144.28 30.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.99 -34.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -74.5 -39.22 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' LYS . 1.3 m-20 -57.35 -41.13 79.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.82 HG12 HD23 ' A' ' 59' ' ' LEU . 34.5 m -93.78 157.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -127.41 109.3 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.57 109.66 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.68 113.3 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.579 HG22 HG23 ' A' ' 76' ' ' VAL . 79.6 mt -104.67 123.23 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -124.4 173.53 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -57.15 -56.24 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.21 37.86 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.7 t60 -163.35 144.48 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 93' ' ' LEU . 18.0 tp -141.63 147.02 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -139.97 141.64 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -145.98 140.69 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.43 -151.43 19.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.82 HD23 HG12 ' A' ' 46' ' ' VAL . 6.3 mt -133.03 142.64 48.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -48.15 141.66 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -51.37 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.31 161.94 76.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.54 40.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.3 6.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG12 ' HE2' ' A' ' 20' ' ' TYR . 51.8 t -59.39 -44.91 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.16 122.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 1.5 t0 -157.7 112.71 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.86 151.35 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.68 130.62 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' HIS . 31.2 mt -66.5 138.24 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -50.63 -42.35 56.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 19.2 t-20 -142.99 166.42 24.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 72' ' ' ASN . 9.4 mt-10 -60.77 151.59 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.55 HG21 HD22 ' A' ' 93' ' ' LEU . 23.3 m -145.93 122.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -44.59 95.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG23 HG22 ' A' ' 50' ' ' ILE . 7.5 p -73.9 -35.79 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.41 -25.99 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.82 -39.27 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -48.92 153.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -166.11 172.4 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.465 ' CB ' HG22 ' A' ' 91' ' ' VAL . 44.1 p-90 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 ' OE2' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -163.25 146.97 10.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 41' ' ' LEU . 48.3 mt -83.9 125.26 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.635 ' OE2' HD11 ' A' ' 82' ' ' LEU . 26.0 mm-40 -100.55 128.95 46.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.422 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.0 OUTLIER 44.65 36.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.49 31.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 88' ' ' VAL . 12.4 ptmt -134.39 -32.64 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.581 HG23 ' HG3' ' A' ' 87' ' ' LYS . 53.9 t -118.85 153.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.418 ' N ' HG12 ' A' ' 88' ' ' VAL . 60.4 t -120.26 100.2 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -88.36 142.06 28.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' A' ' 81' ' ' TRP . 55.1 t -134.92 114.89 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -86.49 119.73 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.802 HD11 HD22 ' A' ' 55' ' ' LEU . 52.8 mt -111.19 119.43 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -86.08 124.54 32.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HD3' ' CD1' ' A' ' 102' ' ' TRP . 66.8 mttt -81.29 109.39 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.7 mm -35.22 -45.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -114.88 85.98 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 54.2 mttt -45.71 -23.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.7 mmt -87.48 30.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.2 tp10 -136.15 145.41 45.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.563 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 64.2 m95 -101.62 163.69 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.5 m0 -118.85 140.57 49.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -87.89 -20.38 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -174.84 166.19 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.598 ' HG ' HG13 ' A' ' 106' ' ' VAL . 50.7 tp -67.9 -63.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.598 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.6 m -133.01 145.36 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' VAL . 76.4 p -36.05 -34.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 106' ' ' VAL . 4.1 t -61.93 -49.23 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . 18.5 m-20 -60.44 158.94 26.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.27 22.04 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -101.85 142.11 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.7 pt -123.77 136.31 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -60.3 114.27 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -89.35 132.9 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -82.76 43.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 t -98.36 161.25 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 146.49 -115.56 0.8 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.9 24.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.4 m -159.65 175.38 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -72.94 121.73 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -133.17 -58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -79.1 89.25 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.29 -56.92 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -85.66 -44.49 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -109.74 90.25 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.49 77.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -126.87 146.59 57.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 168.18 22.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -131.76 -176.09 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.2 -46.84 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -79.14 42.84 2.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' GLY . 71.5 m-80 34.26 37.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.9 -142.74 10.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.89 120.12 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.0 106.68 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.65 154.43 41.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -21.67 33.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.39 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -90.13 -33.63 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.607 ' CD1' HD12 ' A' ' 17' ' ' LEU . 6.5 p90 -175.14 154.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -115.33 137.19 52.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.694 ' CG ' HD12 ' A' ' 105' ' ' LEU . 19.2 p-90 -143.21 145.11 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -121.93 159.06 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.863 HE22 HD11 ' A' ' 112' ' ' ILE . 6.7 pt20 -132.47 134.38 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ALA . 46.6 p -133.8 146.97 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD21 ' NE1' ' A' ' 101' ' ' TRP . 18.7 mt -40.19 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB3' ' OE2' ' A' ' 28' ' ' GLU . . . -83.17 -67.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE2' ' HB3' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -146.27 -177.93 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.477 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 2.5 tt -119.2 127.92 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.47 146.36 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 32' ' ' ALA . 2.9 tp -137.83 145.97 42.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.626 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -141.76 114.56 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.865 HG11 HG11 ' A' ' 65' ' ' VAL . 97.2 t -110.36 96.79 28.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 123.66 10.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -107.73 142.91 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -82.76 54.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.8 HG11 HD21 ' A' ' 41' ' ' LEU . 19.8 m -100.17 152.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -112.6 18.57 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.4 -178.34 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HE ' ' N ' ' A' ' 86' ' ' GLY . 6.4 tpt180 -85.76 114.07 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.8 HD21 HG11 ' A' ' 37' ' ' VAL . 75.4 mt -67.96 138.29 55.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' LYS . 29.8 mmtt -111.09 140.17 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.46 -27.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' LYS . 18.1 pttp -81.79 -43.06 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.3 m-20 -57.46 -38.65 74.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.663 HG12 HD23 ' A' ' 59' ' ' LEU . 25.5 m -91.25 160.01 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -132.05 103.24 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG22 HG13 ' A' ' 57' ' ' VAL . 76.7 t -124.15 115.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -109.03 114.31 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.616 HG21 ' HB3' ' A' ' 79' ' ' SER . 82.5 mt -106.92 118.63 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -120.96 -175.6 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -64.54 -51.5 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -129.17 36.75 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -159.72 138.34 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 HD11 ' A' ' 93' ' ' LEU . 10.7 tp -140.21 145.76 37.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -140.14 150.77 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HG22 ' A' ' 48' ' ' VAL . 59.1 t -153.21 143.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.12 -157.46 29.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 46' ' ' VAL . 10.5 mt -128.7 135.41 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' LEU . 21.1 tptt -35.22 137.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -55.47 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.9 161.62 28.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 66' ' ' VAL . 10.9 p -61.04 -29.87 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.049 HG23 HG13 ' A' ' 65' ' ' VAL . 27.4 t -127.42 119.68 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -153.19 112.99 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.53 161.64 26.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 107' ' ' THR . 18.5 tt0 -75.61 124.38 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.421 HD13 ' CG2' ' A' ' 74' ' ' VAL . 52.2 mt -55.33 131.02 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -45.04 -38.59 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -145.08 171.32 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.56 139.88 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 74' ' ' VAL . 21.9 m -133.54 127.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -47.55 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' VAL . 3.7 p -67.7 -40.91 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.16 -21.23 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -105.33 -34.41 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.616 ' HB3' HG21 ' A' ' 50' ' ' ILE . 3.8 m -50.76 147.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -165.23 160.45 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.519 ' HB3' HG13 ' A' ' 91' ' ' VAL . 59.7 p-90 -138.26 171.2 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 83' ' ' ILE . 2.3 pp -159.94 160.05 33.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.783 HD13 ' O ' ' A' ' 41' ' ' LEU . 63.8 mt -85.89 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE2' HG21 ' A' ' 90' ' ' THR . 10.3 mt-10 -116.98 116.76 28.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.467 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 7.6 t70 59.73 25.04 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 48.37 17.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 1.5 ptpt -129.97 -11.71 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 89' ' ' VAL . 41.5 t -131.57 159.33 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.51 ' N ' HG12 ' A' ' 88' ' ' VAL . 50.8 t -128.91 105.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.455 HG21 ' OE2' ' A' ' 84' ' ' GLU . 44.9 p -95.01 131.78 40.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.534 ' HB ' HD23 ' A' ' 31' ' ' LEU . 23.3 t -121.59 122.4 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.9 t60 -94.63 114.65 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 HD22 ' A' ' 55' ' ' LEU . 63.9 mt -102.9 115.62 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -83.34 123.82 30.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.22 122.37 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.6 mm -44.18 -37.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -123.69 121.71 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -70.99 -10.03 59.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 30.5 mmt -103.74 35.33 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.16 146.26 48.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.517 ' NE1' HD21 ' A' ' 26' ' ' LEU . 55.7 m95 -109.84 160.69 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.496 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 9.7 m0 -118.38 133.9 55.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -98.03 -12.76 21.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.458 HH21 HG22 ' A' ' 107' ' ' THR . 32.3 ptt180 -168.82 126.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.785 HD23 HG13 ' A' ' 106' ' ' VAL . 6.5 tt -45.22 -49.91 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.785 HG13 HD23 ' A' ' 105' ' ' LEU . 3.2 m -145.62 163.67 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 69' ' ' GLU . 40.0 p -58.74 -12.6 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.7 m -100.48 35.4 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -141.17 152.05 63.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' O ' ' OD1' ' A' ' 109' ' ' ASP . 53.9 Cg_endo -69.81 138.96 38.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -69.58 158.61 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.863 HD11 HE22 ' A' ' 24' ' ' GLN . 9.5 pt -135.9 137.83 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -64.23 93.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.7 p -82.98 129.17 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.77 -60.89 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -61.75 153.88 27.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -166.35 -76.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.66 175.22 8.32 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.5 m -82.41 105.59 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.1 p -62.43 121.73 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -103.97 -59.57 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -108.75 139.36 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.54 72.37 1.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -72.22 123.95 24.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -144.02 117.8 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.27 40.29 1.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.76 151.77 47.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.58 62.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.695 ' OD1' HG22 ' A' ' 23' ' ' THR . 0.6 OUTLIER -105.61 -71.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 11' ' ' LEU . 4.6 tt -135.01 -41.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.43 49.79 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.458 ' O ' HD12 ' A' ' 112' ' ' ILE . 35.5 m-80 46.77 31.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.677 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -90.72 -137.16 6.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.83 125.01 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' CG ' ' HB3' ' A' ' 10' ' ' ASN . 7.2 m-20 -87.76 98.9 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -102.59 153.9 37.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -19.48 36.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -92.22 -31.92 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.719 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.0 p90 -174.99 159.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -118.69 136.62 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -136.9 152.06 49.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.695 HG22 ' OD1' ' A' ' 10' ' ' ASN . 74.4 p -123.05 164.38 18.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 16.4 pt20 -143.95 138.41 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.2 p -136.59 179.95 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.1 mt -82.76 23.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.77 -43.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -168.64 173.39 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.2 tt -113.3 142.47 45.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.02 144.33 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 32' ' ' ALA . 5.3 tp -137.5 143.4 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.404 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -140.63 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.044 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.96 102.73 37.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.7 130.96 20.32 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.403 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB3' HG13 ' A' ' 37' ' ' VAL . 38.6 m-85 -114.58 133.79 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.49 48.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 HD21 ' A' ' 41' ' ' LEU . 33.4 m -95.64 147.53 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -109.63 26.23 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -148.36 -177.18 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -90.19 122.93 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.506 HD21 HG11 ' A' ' 37' ' ' VAL . 92.8 mt -78.74 146.21 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 45' ' ' ASP . 38.0 mmtt -118.85 141.05 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . -36.98 -40.55 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' LYS . 8.8 t0 -58.63 -40.29 82.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.806 HG12 HD23 ' A' ' 59' ' ' LEU . 34.3 m -95.72 163.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -133.35 104.7 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 96.5 t -122.65 116.96 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -111.58 109.23 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.421 HG22 HG23 ' A' ' 76' ' ' VAL . 54.7 mt -99.54 126.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -126.3 176.25 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -56.89 -58.18 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -122.04 34.67 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -156.69 142.24 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 93' ' ' LEU . 28.2 tp -142.29 141.32 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -135.32 136.8 41.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.71 143.49 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.24 -163.77 35.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 46' ' ' VAL . 11.9 mt -117.26 146.3 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 6.6 tmtt? -47.79 133.57 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 80.97 -57.31 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -63.49 162.25 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.36 37.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.78 4.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.66 -43.05 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG22 ' CE2' ' A' ' 20' ' ' TYR . 46.3 t -110.87 116.49 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -155.04 106.91 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.88 146.34 6.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.72 127.17 24.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.3 148.4 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.34 -44.94 84.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -138.45 177.89 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.67 141.15 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.736 HG21 HD22 ' A' ' 93' ' ' LEU . 22.7 m -134.94 125.97 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.73 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -71.95 -32.07 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.64 -25.98 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.4 -39.13 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -43.5 148.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -165.64 154.36 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.43 ' HB3' HG13 ' A' ' 91' ' ' VAL . 52.4 p-90 -125.91 166.84 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.8 pp -153.02 163.43 39.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 82' ' ' LEU . 69.5 mt -95.31 129.73 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -105.15 120.82 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' LYS . 4.1 m-20 46.74 37.46 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 38.53 25.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' HG3' HG23 ' A' ' 88' ' ' VAL . 8.9 ptpt -128.14 -27.69 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.521 HG23 ' HG3' ' A' ' 87' ' ' LYS . 57.4 t -124.08 159.59 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.52 ' N ' HG12 ' A' ' 88' ' ' VAL . 56.0 t -127.39 102.6 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -90.95 142.09 28.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 81' ' ' TRP . 45.1 t -130.51 113.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -85.17 122.97 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.779 HD11 HD22 ' A' ' 55' ' ' LEU . 58.5 mt -116.16 119.92 37.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -83.68 121.45 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -76.72 115.9 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.23 -41.59 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 100' ' ' GLU . 49.2 m-20 -116.47 81.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -43.22 -28.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.05 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 4.0 tp10 -133.95 145.25 49.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.543 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 70.6 m95 -101.99 167.8 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.489 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 8.7 m0 -122.49 140.86 52.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -93.0 -15.47 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -170.62 169.88 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HG ' HG13 ' A' ' 106' ' ' VAL . 51.6 tp -79.1 -50.17 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.516 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.5 m -136.8 -178.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.7 p -82.66 28.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -131.28 -43.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.3 154.39 87.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 139.25 39.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.66 162.13 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 14' ' ' GLY . 7.6 pt -135.1 133.92 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -52.67 110.35 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 p -87.24 -47.47 8.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 tttm 49.87 42.98 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -131.0 128.81 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.29 98.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -15.2 36.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.1 p -76.14 112.31 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 t -91.58 153.9 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -134.47 127.89 32.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -61.24 162.52 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.41 -148.9 17.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 58.78 34.36 23.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -148.5 159.05 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 34.41 78.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HD2' ' C ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -67.9 152.4 96.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' C ' ' HD2' ' A' ' 8' ' ' LYS . 53.5 Cg_endo -69.73 89.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.328 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 10' ' ' ASN . 20.2 p30 -62.72 176.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -46.49 -53.01 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -76.67 45.15 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 37.31 28.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -101.65 179.94 27.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.31 119.99 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -78.12 107.79 10.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.18 153.23 41.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.95 31.64 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.44 -34.2 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.619 ' CD1' HD12 ' A' ' 17' ' ' LEU . 11.2 p90 -171.96 157.32 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -118.81 137.01 53.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -141.51 151.51 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -125.38 168.46 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 102' ' ' TRP . 21.7 pt20 -143.14 134.54 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 27' ' ' ALA . 52.6 p -135.04 144.52 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 101' ' ' TRP . 14.3 mt -44.0 -22.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -84.42 -57.43 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.45 174.65 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.743 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -111.54 162.48 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.743 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.7 t70 -145.8 144.88 30.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.453 HD22 HD21 ' A' ' 105' ' ' LEU . 5.3 tp -135.8 132.27 36.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -123.68 118.24 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.543 ' CG1' ' CZ ' ' A' ' 35' ' ' PHE . 82.8 t -111.33 98.56 40.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.89 9.55 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CE1' HD21 ' A' ' 59' ' ' LEU . 86.6 m-85 -113.67 130.49 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.14 62.32 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 41' ' ' LEU . 30.4 m -94.47 143.76 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.55 19.86 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -148.91 179.43 7.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -82.62 125.69 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.735 HD21 HG11 ' A' ' 37' ' ' VAL . 80.1 mt -81.1 133.45 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' ASP . 19.0 mttt -111.94 142.24 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' HD11 ' A' ' 83' ' ' ILE . . . -39.0 -40.74 1.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.45 -34.12 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LYS . 77.6 m-20 -61.01 -41.56 96.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG23 ' CH2' ' A' ' 81' ' ' TRP . 32.7 m -97.25 147.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.2 t -117.64 99.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 57' ' ' VAL . 25.5 t -114.05 105.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.08 124.59 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.61 HG21 ' CB ' ' A' ' 79' ' ' SER . 76.4 mt -116.67 127.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -127.76 -179.48 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 8.0 tpp85 -51.41 -57.9 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' LEU . 10.3 ttt180 -129.13 20.65 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -131.4 133.72 45.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 93' ' ' LEU . 38.7 tp -134.48 140.25 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -139.25 131.78 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 48' ' ' VAL . 97.7 t -134.28 143.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.3 173.96 35.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -85.19 157.76 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -57.18 125.16 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.65 -51.35 4.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.83 162.23 12.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 142.6 48.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 122.66 9.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 t -67.73 -25.59 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.29 109.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -140.53 111.43 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.42 24.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 107' ' ' THR . 33.3 tt0 -72.2 116.07 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.6 mt -43.76 161.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.66 -43.35 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' CG ' ' OE2' ' A' ' 100' ' ' GLU . 36.3 t30 -139.32 170.36 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 10.8 mt-10 -67.63 134.92 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 74' ' ' VAL . 22.5 m -130.64 121.85 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -42.45 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.2 p -66.22 -40.62 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.45 -20.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -110.3 -37.96 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.61 ' CB ' HG21 ' A' ' 50' ' ' ILE . 35.9 m -40.83 150.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.7 p -168.38 179.93 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.552 ' CH2' HG23 ' A' ' 46' ' ' VAL . 46.5 p-90 -152.42 171.24 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 82' ' ' LEU . 3.6 pp -158.27 142.81 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.58 HG21 ' HB2' ' A' ' 41' ' ' LEU . 14.4 mt -80.6 125.02 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 7.4 mt-10 -102.09 144.98 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 43.5 t0 40.87 25.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 49.26 16.69 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 2.3 ptpt -127.56 -21.37 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 89' ' ' VAL . 36.3 t -120.12 159.46 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.512 ' N ' HG12 ' A' ' 88' ' ' VAL . 57.0 t -130.44 97.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.8 p -85.31 135.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.4 118.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.64 123.31 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 55' ' ' LEU . 22.2 mt -113.93 118.75 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -83.37 122.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ILE . 81.0 mttt -80.86 114.06 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' LYS . 28.6 mm -36.36 -42.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -119.81 122.93 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.68 -5.62 31.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -109.65 35.2 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' CG ' ' A' ' 72' ' ' ASN . 15.7 tt0 -132.46 138.94 47.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.614 ' CD1' HD21 ' A' ' 26' ' ' LEU . 54.1 m95 -107.34 160.05 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.59 ' CE3' HD13 ' A' ' 29' ' ' LEU . 11.9 m0 -115.45 150.36 36.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -107.56 -11.2 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -174.22 150.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.635 ' HG ' HG13 ' A' ' 106' ' ' VAL . 56.4 tp -56.93 -63.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG13 ' HG ' ' A' ' 105' ' ' LEU . 18.4 m -133.52 158.35 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 69' ' ' GLU . 40.0 p -52.3 -18.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -95.31 31.11 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -137.64 157.01 74.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 145.92 58.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.98 164.94 19.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' THR . 0.7 OUTLIER -137.6 124.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.47 89.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' ILE . 68.3 p -61.0 85.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -45.07 -66.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 t -77.11 124.98 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.13 91.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -51.36 179.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -83.01 -55.54 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -39.04 154.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -99.58 154.62 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.96 -134.33 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -106.04 129.58 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -113.78 -54.5 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.2 137.43 7.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -120.65 152.51 55.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 114.84 3.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -85.12 178.19 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.37 -43.98 44.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -85.84 43.04 3.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 15.2 m-80 38.49 31.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -95.42 -151.49 28.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.38 120.73 8.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.89 94.41 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.749 HD12 ' CD1' ' A' ' 20' ' ' TYR . 2.2 mt -93.99 153.58 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -95.16 -30.67 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.749 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.4 p90 -173.18 161.02 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.67 133.77 55.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -137.9 147.5 44.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.7 p -124.05 166.61 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.78 135.96 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ALA . 73.0 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 14.6 mt -36.45 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.15 -64.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -151.33 178.88 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 30' ' ' ASP . 2.0 tt -110.91 162.67 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.754 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -141.39 148.72 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 32' ' ' ALA . 3.6 tp -141.68 146.9 36.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.619 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.04 115.03 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -111.83 103.26 55.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.534 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo -69.73 121.9 8.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 37' ' ' VAL . 40.5 m-85 -108.98 114.39 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -61.06 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.4 m -131.44 144.95 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -104.51 24.68 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -149.18 -177.72 5.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -86.7 123.52 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.62 137.6 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 134.5 38.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.39 -36.59 4.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -77.27 -35.82 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.68 -42.52 88.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG12 HD23 ' A' ' 59' ' ' LEU . 33.4 m -91.41 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.89 111.88 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 57' ' ' VAL . 53.4 t -127.63 93.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -91.4 119.21 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.59 HG22 HG23 ' A' ' 76' ' ' VAL . 71.8 mt -111.16 122.23 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -122.43 175.17 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -57.81 -58.8 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -119.61 37.5 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.406 ' N ' HD12 ' A' ' 70' ' ' LEU . 45.7 t-80 -161.4 145.68 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 93' ' ' LEU . 23.2 tp -145.11 142.12 29.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -140.34 136.63 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.514 HG13 HG22 ' A' ' 48' ' ' VAL . 88.6 t -141.31 141.06 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.74 -143.78 8.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.567 HD23 HG12 ' A' ' 46' ' ' VAL . 11.5 mt -132.25 152.48 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -57.87 135.62 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 -46.23 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.63 162.99 71.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.91 39.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.17 9.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG12 ' CE2' ' A' ' 20' ' ' TYR . 60.3 t -64.14 -41.32 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 78.7 t -118.67 115.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.89 110.85 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.27 155.65 13.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -66.1 134.99 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 54' ' ' HIS . 27.2 mt -70.57 135.56 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 8.7 t80 -44.72 -44.77 9.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -138.77 175.49 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.8 150.57 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG21 HD22 ' A' ' 93' ' ' LEU . 33.1 m -143.35 121.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -42.44 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.59 HG23 HG22 ' A' ' 50' ' ' ILE . 9.5 p -69.5 -33.81 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -59.31 -24.72 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -104.34 -39.32 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -42.92 147.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -166.7 153.58 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.475 ' CB ' HG22 ' A' ' 91' ' ' VAL . 29.9 p-90 -122.95 173.09 8.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 82' ' ' LEU . 2.2 pp -163.84 142.54 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 68.5 mt -80.12 126.19 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -102.26 130.58 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' LYS . 1.6 m-20 43.74 38.51 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.432 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 36.39 31.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.9 ptpt -133.74 -33.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 87' ' ' LYS . 77.7 t -116.74 159.37 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.53 ' N ' HG12 ' A' ' 88' ' ' VAL . 76.5 t -127.44 98.4 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -86.46 141.47 29.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 81' ' ' TRP . 44.4 t -131.99 112.54 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 127.21 33.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.762 HD11 HD22 ' A' ' 55' ' ' LEU . 68.8 mt -118.06 118.39 31.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 95' ' ' LYS . 8.3 tp10 -83.32 124.86 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 96' ' ' ILE . 72.9 mttt -81.75 109.91 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 95' ' ' LYS . 22.9 mm -33.75 -44.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -117.32 120.14 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -70.4 -22.82 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.4 mmt -91.47 30.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -133.49 144.56 49.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.534 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -106.43 174.2 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 7.5 m0 -126.92 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -95.06 -16.77 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -174.78 163.91 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.424 ' HG ' HG13 ' A' ' 106' ' ' VAL . 49.3 tp -70.17 -51.63 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.424 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.3 m -137.76 146.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -43.63 -42.19 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -59.63 -35.76 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 106' ' ' VAL . 1.0 OUTLIER -70.15 159.83 82.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.82 154.12 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' ASN . 8.5 pt -131.6 138.84 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -57.64 99.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.1 p -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -101.66 169.19 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 m -116.07 -65.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.92 167.91 32.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 87.87 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -47.79 -44.2 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -132.44 -61.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -62.49 99.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 p -163.09 132.34 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.54 129.3 2.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -109.14 -57.94 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -98.05 129.49 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.47 108.82 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -136.16 154.23 77.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.69 13.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.45 176.15 5.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -47.66 -51.8 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -78.07 44.84 2.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' GLY . 34.4 m-80 34.35 47.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.54 -150.6 11.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.16 119.99 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.74 112.07 18.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.663 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -113.22 152.43 45.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.92 35.35 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -91.21 -32.18 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.663 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.0 p90 -174.81 160.34 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -117.35 133.28 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.754 ' CG ' HD12 ' A' ' 105' ' ' LEU . 14.3 p-90 -140.97 138.81 34.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -117.84 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.689 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.7 pt20 -140.38 131.06 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.7 p -132.54 145.94 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.2 mt -35.12 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -74.22 -68.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.99 176.93 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.5 tt -113.85 139.17 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.01 153.16 32.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 91' ' ' VAL . 3.5 tp -142.73 144.78 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.45 106.56 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG23 HD11 ' A' ' 31' ' ' LEU . 94.7 t -102.16 99.4 12.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.615 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.9 Cg_endo -69.79 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.48 ' HB3' HG13 ' A' ' 37' ' ' VAL . 54.0 m-85 -117.94 134.84 54.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -76.61 49.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 35' ' ' PHE . 27.6 m -94.84 134.61 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -97.24 20.38 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.84 -179.84 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -83.88 132.52 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.655 ' O ' HD13 ' A' ' 83' ' ' ILE . 71.4 mt -88.05 135.13 33.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.8 mttt -106.09 144.93 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.46 -34.56 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -31.71 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.5 m-20 -63.79 -40.34 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.626 HG12 HD23 ' A' ' 59' ' ' LEU . 34.5 m -94.99 160.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.5 t -129.96 107.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 57' ' ' VAL . 97.5 t -126.32 111.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.22 115.58 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.4 HD11 HG13 ' A' ' 91' ' ' VAL . 64.1 mt -109.37 120.62 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -122.88 179.79 4.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -57.86 -54.36 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -128.2 37.91 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.2 t-80 -157.77 129.92 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.772 HD22 HD11 ' A' ' 93' ' ' LEU . 28.2 tp -128.4 143.39 50.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.621 ' H ' HD12 ' A' ' 55' ' ' LEU . 34.8 ttt180 -140.23 141.23 35.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 48' ' ' VAL . 93.0 t -149.44 141.9 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.78 -158.81 31.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 HG12 ' A' ' 46' ' ' VAL . 4.7 mt -122.02 143.33 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -46.72 140.34 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.68 -50.1 2.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -74.16 161.38 78.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 143.31 50.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 120.62 7.38 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.741 2.294 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.6 -39.67 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.56 122.81 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -159.56 116.6 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.85 159.87 19.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 107' ' ' THR . 14.9 tt0 -67.4 117.28 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 54' ' ' HIS . 17.9 mt -52.68 134.83 35.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 15.5 t80 -43.44 -43.0 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -143.79 175.66 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.43 155.4 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 74' ' ' VAL . 21.1 m -151.54 121.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -44.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.16 -37.17 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.11 -24.93 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.19 -39.49 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -48.03 154.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -166.96 174.83 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.456 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -143.95 171.59 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.7 pp -158.38 164.07 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 41' ' ' LEU . 63.9 mt -95.48 130.53 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -106.52 115.6 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . 18.5 m-20 51.23 38.5 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.65 28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.792 ' HG3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -131.11 -29.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 87' ' ' LYS . 66.4 t -121.54 159.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.527 ' N ' HG12 ' A' ' 88' ' ' VAL . 71.5 t -127.5 101.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 p -88.45 140.03 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.464 ' HB ' HD23 ' A' ' 31' ' ' LEU . 47.6 t -133.03 113.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -84.7 127.53 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.772 HD11 HD22 ' A' ' 55' ' ' LEU . 63.0 mt -116.09 115.42 26.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.14 128.51 34.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.9 mttt -87.49 111.0 20.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 95' ' ' LYS . 36.7 mm -33.24 -40.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -120.65 117.89 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.56 -15.89 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mmt -96.99 31.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.66 140.19 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.529 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 56.4 m95 -104.15 168.45 9.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.585 ' CE3' HD13 ' A' ' 29' ' ' LEU . 7.9 m0 -125.34 133.39 52.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -84.13 -21.83 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.55 146.94 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.754 HD12 ' CG ' ' A' ' 22' ' ' TRP . 5.3 tt -47.84 -58.89 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.672 HG13 HD23 ' A' ' 105' ' ' LEU . 5.3 m -144.15 158.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 69' ' ' GLU . 67.4 p -45.86 -24.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 t -90.51 38.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.77 161.57 42.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.68 58.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -89.21 142.96 27.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.689 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.3 pt -131.32 139.31 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -60.03 131.05 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.6 p -103.97 167.61 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -99.61 -54.07 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m 65.22 44.25 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.89 100.65 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -84.22 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.7 t -161.95 139.51 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -154.16 134.52 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -133.44 105.62 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.51 -153.43 9.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -68.79 134.44 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -120.13 -46.56 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.13 118.85 4.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.62 152.67 78.13 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.06 14.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -84.07 -175.28 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 11' ' ' LEU . 5.9 tt -62.76 -45.72 91.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.92 41.28 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 43.31 44.14 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -112.02 -145.99 10.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.55 119.99 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -105.4 152.86 40.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.565 0.697 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -19.41 36.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -92.85 -30.23 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 17' ' ' LEU . 6.1 p90 -174.01 165.91 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -122.6 129.3 51.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 18.3 p-90 -137.6 137.56 38.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -117.83 157.86 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.1 pt20 -134.25 134.95 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' ALA . 49.4 p -134.01 144.66 48.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 11.9 mt -36.71 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.43 -68.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -148.21 174.53 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -112.56 132.59 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -110.75 148.01 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 32' ' ' ALA . 3.1 tp -137.03 145.44 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.692 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -140.88 107.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.009 HG11 HG11 ' A' ' 65' ' ' VAL . 92.4 t -104.14 101.09 24.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.748 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.57 12.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' VAL . 43.7 m-85 -114.72 116.91 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -63.65 76.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.605 HG11 HD21 ' A' ' 41' ' ' LEU . 35.5 m -118.62 150.05 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -110.55 23.96 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -147.78 -178.21 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -89.78 114.0 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD21 HG11 ' A' ' 37' ' ' VAL . 88.2 mt -71.27 148.28 47.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASP . 10.8 mmtp -117.23 141.99 47.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.41 -35.74 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -74.83 -38.78 61.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LYS . 79.6 m-20 -57.71 -40.57 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.806 HG12 HD23 ' A' ' 59' ' ' LEU . 30.1 m -92.08 159.04 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.2 t -128.25 100.99 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.58 HG22 HG13 ' A' ' 57' ' ' VAL . 91.7 t -118.79 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.74 108.66 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.6 mt -100.07 126.02 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.86 175.53 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -59.33 -55.26 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -123.18 36.85 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.511 ' N ' HD12 ' A' ' 70' ' ' LEU . 83.1 t60 -161.74 146.28 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 93' ' ' LEU . 18.9 tp -145.9 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -140.21 137.28 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG13 HG22 ' A' ' 48' ' ' VAL . 80.2 t -140.49 144.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.01 -156.55 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 46' ' ' VAL . 9.3 mt -132.36 138.51 47.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -39.78 137.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -57.92 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -63.9 161.78 35.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.92 52.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.8 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.009 HG11 HG11 ' A' ' 33' ' ' VAL . 12.6 p -57.3 -29.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.937 HG23 HG13 ' A' ' 65' ' ' VAL . 46.9 t -133.7 123.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -161.03 111.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.4 159.19 21.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.49 132.27 52.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 54' ' ' HIS . 37.9 mt -70.31 139.19 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -49.88 -41.51 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.7 -174.99 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.94 145.43 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.623 HG21 HD22 ' A' ' 93' ' ' LEU . 20.9 m -139.04 120.06 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -42.39 97.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 p -72.65 -36.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.44 -23.64 62.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -105.71 -39.23 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 m -48.95 159.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -173.56 172.44 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.425 ' CB ' HG22 ' A' ' 91' ' ' VAL . 50.3 p-90 -142.3 170.62 15.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.629 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.5 pp -158.79 156.44 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.503 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 96.8 mt -89.43 127.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HG2' HD11 ' A' ' 82' ' ' LEU . 1.9 mm-40 -104.77 121.73 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 46.37 33.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.97 28.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.723 ' HG3' HG23 ' A' ' 88' ' ' VAL . 18.9 ptmt -130.09 -25.64 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.723 HG23 ' HG3' ' A' ' 87' ' ' LYS . 17.3 t -129.58 149.36 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.89 99.57 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.6 p -85.41 137.71 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' CB ' ' A' ' 81' ' ' TRP . 58.1 t -131.18 116.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -88.96 126.19 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.623 HD22 HG21 ' A' ' 74' ' ' VAL . 29.3 mt -115.77 117.3 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.29 120.21 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' ILE . 69.1 mttt -76.52 110.79 11.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LYS . 25.1 mm -33.76 -37.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 95' ' ' LYS . 10.3 t-20 -124.51 120.83 33.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' LEU . 42.3 mmtt -70.48 -18.0 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 19.2 mmt -96.21 32.31 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -134.35 144.18 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 49.2 m95 -103.58 170.55 7.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.49 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.0 m95 -128.69 137.68 51.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.0 -19.58 23.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 20.2 ptt-85 -174.31 163.71 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 tp -68.95 -54.61 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.491 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.4 m -131.75 179.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.1 p -83.85 28.17 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -122.4 -50.14 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.491 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -59.51 162.73 7.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.39 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.82 154.08 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.447 HD11 ' NE2' ' A' ' 24' ' ' GLN . 8.1 pt -136.99 136.9 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -49.78 146.41 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.4 p -140.25 170.74 15.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -116.91 152.45 34.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.9 m -133.17 111.18 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.07 77.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.64 2.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 m 56.61 42.76 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t 66.3 42.36 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -167.93 141.05 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -92.24 -52.76 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.08 -102.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p 42.37 33.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -92.38 150.66 20.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.92 -165.49 21.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -130.73 153.55 81.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 114.43 3.7 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 12' ' ' GLY . 25.0 p30 -85.93 -175.72 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -58.72 -37.13 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 10' ' ' ASN . . . -79.97 39.84 2.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' GLY . 72.1 m-20 33.93 37.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -111.22 -141.34 8.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.69 119.98 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -83.89 108.73 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.8 mt -108.12 152.37 41.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.52 36.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -92.24 -32.22 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.697 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.8 p90 -171.84 159.8 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -118.57 134.89 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -141.5 142.61 33.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -117.73 173.73 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.7 pt20 -154.36 136.33 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.5 p -133.93 -175.32 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.705 HD21 ' NE1' ' A' ' 101' ' ' TRP . 23.8 mt -81.82 26.11 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.96 -52.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -161.45 175.36 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.53 133.86 55.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.84 136.01 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD11 HG23 ' A' ' 33' ' ' VAL . 3.0 tp -131.34 133.8 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.49 111.66 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.717 HG11 HG11 ' A' ' 65' ' ' VAL . 91.2 t -104.96 102.32 35.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.69 121.85 8.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -108.8 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -65.53 76.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.89 146.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -105.53 24.59 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -145.87 -178.19 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HD3' ' NZ ' ' A' ' 42' ' ' LYS . 4.6 ttt85 -90.99 126.31 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.5 mt -80.76 148.49 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' NZ ' ' HD3' ' A' ' 40' ' ' ARG . 15.6 mmtm -110.77 148.8 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.23 34.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -81.92 -31.27 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -40.91 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.654 HG12 ' CD2' ' A' ' 59' ' ' LEU . 27.4 m -92.16 150.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.32 104.7 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.83 106.62 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -102.77 114.12 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.0 mt -106.5 115.51 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -117.09 173.24 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -60.46 -52.22 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -123.07 37.75 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.8 t60 -165.34 144.79 6.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 93' ' ' LEU . 30.6 tp -139.21 145.87 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' H ' HD12 ' A' ' 55' ' ' LEU . 62.0 ttt180 -140.22 141.75 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -149.1 143.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.05 -155.52 26.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.654 ' CD2' HG12 ' A' ' 46' ' ' VAL . 20.3 mt -128.88 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -48.35 138.94 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.88 -57.37 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.33 162.05 36.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.44 54.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.767 HG13 HG23 ' A' ' 66' ' ' VAL . 11.9 p -50.65 -34.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.767 HG23 HG13 ' A' ' 65' ' ' VAL . 62.1 t -130.55 117.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -154.05 110.68 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.07 156.5 15.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.16 131.04 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 54' ' ' HIS . 30.9 mt -69.81 133.54 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -44.32 -43.31 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -141.07 170.64 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.64 147.09 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.74 HG21 HD22 ' A' ' 93' ' ' LEU . 17.9 m -140.3 124.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.55 95.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 -39.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.78 -23.29 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.51 -40.03 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -49.2 149.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -167.83 147.56 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CB ' HG22 ' A' ' 91' ' ' VAL . 36.0 p-90 -115.87 171.65 7.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD11 ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp -160.13 141.51 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 97.1 mt -76.85 127.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' OE2' HD11 ' A' ' 82' ' ' LEU . 24.6 mm-40 -105.09 123.61 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 38.6 m-20 45.69 34.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.16 28.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.6 ptmt -129.61 -28.66 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.586 HG23 ' HG3' ' A' ' 87' ' ' LYS . 34.4 t -124.76 156.56 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.454 ' N ' HG12 ' A' ' 88' ' ' VAL . 74.4 t -123.34 97.35 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -85.16 135.68 33.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 81' ' ' TRP . 44.0 t -128.01 111.44 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -84.06 117.77 23.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.873 HD11 HD22 ' A' ' 55' ' ' LEU . 46.9 mt -110.13 117.33 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -83.51 121.58 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -76.79 117.2 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -45.96 -38.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' GLU . 9.5 m120 -118.93 80.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -42.48 -27.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.9 mmt -86.47 29.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 2.5 tp10 -137.27 146.94 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.705 ' NE1' HD21 ' A' ' 26' ' ' LEU . 82.5 m95 -100.54 171.73 7.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.3 m0 -124.44 143.26 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.91 -23.28 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -172.34 170.72 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.22 -46.38 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.07 164.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.7 p -54.32 -32.34 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.9 p -82.22 40.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -146.88 159.59 42.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.728 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.74 57.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.61 141.99 28.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.9 pt -125.12 134.52 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -54.92 124.52 16.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 p -110.89 112.34 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -73.75 111.44 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.8 m -133.12 154.26 50.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.04 -177.54 36.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m 39.6 42.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -55.87 117.57 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -61.49 171.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -39.4 125.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 81.97 107.14 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.0 t -38.4 103.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -96.21 110.03 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.05 93.74 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -134.24 152.63 78.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 131.26 20.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -178.16 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -52.82 -45.25 67.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -85.67 45.7 3.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' GLY . 40.9 m-80 34.72 45.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.26 -148.53 11.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.49 120.09 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.56 105.33 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -106.44 152.65 40.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.862 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.01 35.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 -32.6 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.0 p90 -175.16 157.72 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -113.68 133.67 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 22' ' ' TRP . 18.1 p-90 -142.38 143.58 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -124.27 161.77 25.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.569 ' NE2' HD11 ' A' ' 112' ' ' ILE . 6.9 pt20 -134.62 137.28 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . 67.8 p -134.31 144.25 48.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.6 mt -38.58 -26.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -81.75 -66.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.19 174.3 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.3 tt -111.75 136.32 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.17 151.9 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD23 ' HB ' ' A' ' 91' ' ' VAL . 2.9 tp -142.65 144.34 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -138.78 113.1 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.804 HG11 HG11 ' A' ' 65' ' ' VAL . 57.6 t -110.63 102.14 51.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.4 12.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.3 m-85 -114.13 114.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -61.86 79.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.932 HG11 HD21 ' A' ' 41' ' ' LEU . 34.5 m -120.63 152.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -105.99 13.27 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -146.79 -175.48 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -82.66 121.5 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.932 HD21 HG11 ' A' ' 37' ' ' VAL . 71.9 mt -68.9 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.0 mmmt -95.97 136.01 36.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.35 -38.17 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -69.37 -40.97 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 5.6 m-20 -58.07 -38.89 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 59' ' ' LEU . 26.8 m -94.48 153.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.621 HG21 ' HE3' ' A' ' 60' ' ' LYS . 87.7 t -126.03 95.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 57' ' ' VAL . 79.6 t -114.64 110.18 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -108.71 114.31 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.416 HG21 ' HB3' ' A' ' 79' ' ' SER . 45.6 mt -105.67 125.19 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -125.84 178.46 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' NH1' HG12 ' A' ' 76' ' ' VAL . 23.4 tpp180 -58.37 -54.14 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -128.14 39.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -160.44 134.86 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.422 HD22 HD21 ' A' ' 93' ' ' LEU . 35.7 tp -135.9 139.55 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -140.15 139.08 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG13 HG22 ' A' ' 48' ' ' VAL . 78.3 t -144.93 147.57 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.45 -152.39 21.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 60' ' ' LYS . 17.9 mt -131.56 129.33 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.621 ' HE3' HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -31.99 -72.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.12 50.52 2.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -175.83 164.65 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.47 66.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.804 HG11 HG11 ' A' ' 33' ' ' VAL . 8.5 p -48.69 -32.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.765 HG23 HG13 ' A' ' 65' ' ' VAL . 47.3 t -130.45 120.8 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -152.66 106.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.55 152.37 9.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 107' ' ' THR . 39.5 tt0 -59.72 139.8 56.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 mt -74.63 140.39 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.92 -44.03 50.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -142.65 172.77 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.47 144.72 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 74' ' ' VAL . 33.2 m -137.77 120.82 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -44.01 91.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.7 p -65.56 -41.64 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.89 -19.46 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.35 -36.12 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 50' ' ' ILE . 4.4 m -50.72 151.1 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -170.23 148.4 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.424 ' CB ' HG22 ' A' ' 91' ' ' VAL . 41.3 p-90 -120.32 167.82 11.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 pp -155.21 150.23 26.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 41' ' ' LEU . 85.5 mt -84.85 126.15 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.18 131.22 51.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 87' ' ' LYS . 33.8 m-20 41.38 32.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.06 22.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.636 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.6 ptmt -127.11 -15.77 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.636 HG23 ' HG3' ' A' ' 87' ' ' LYS . 21.8 t -136.15 154.44 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.411 ' N ' HG12 ' A' ' 88' ' ' VAL . 25.9 t -120.81 100.94 9.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -88.34 138.65 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' HB ' HD23 ' A' ' 31' ' ' LEU . 43.1 t -129.77 115.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -87.0 123.9 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.422 HD21 HD22 ' A' ' 55' ' ' LEU . 26.8 mt -112.09 117.35 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.43 123.72 29.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -81.57 117.46 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.6 mm -42.48 -36.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -124.4 118.26 26.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.07 -16.51 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.72 32.44 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -133.26 142.08 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.492 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -103.77 164.93 11.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 7.7 m0 -122.91 141.2 52.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -96.91 -14.62 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 -173.08 161.33 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.669 ' HG ' HG13 ' A' ' 106' ' ' VAL . 21.4 tp -69.67 -59.21 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.669 HG13 ' HG ' ' A' ' 105' ' ' LEU . 12.4 m -130.1 -177.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 69' ' ' GLU . 82.1 p -84.24 26.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -120.11 -43.8 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.51 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -69.63 162.37 67.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.23 35.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.312 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -91.77 160.29 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.569 HD11 ' NE2' ' A' ' 24' ' ' GLN . 6.8 pt -141.22 145.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.87 129.69 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 61.8 p -126.55 137.73 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -95.92 101.08 12.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.5 t -103.63 95.13 5.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.88 -176.12 14.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -20.11 35.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 t 55.36 42.13 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -98.83 -52.29 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 71.78 42.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -58.43 149.48 24.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 -114.93 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -131.37 122.68 26.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -130.18 127.28 39.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.33 109.03 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -100.04 152.65 37.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 124.29 10.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -99.44 179.41 4.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -43.49 -51.29 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -80.59 42.23 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' GLY . 70.3 m-80 36.26 30.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -93.9 -146.37 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.55 120.07 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.74 109.05 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.706 HD12 ' CE1' ' A' ' 20' ' ' TYR . 2.0 mt -112.44 151.3 43.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.722 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -21.86 33.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -89.59 -34.15 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.706 ' CE1' HD12 ' A' ' 17' ' ' LEU . 2.7 p90 -174.3 150.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 141.65 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.2 p-90 -146.82 145.83 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -122.03 164.69 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -138.66 132.83 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ALA . 59.7 p -131.14 143.46 50.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -41.29 -24.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -83.87 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.52 177.43 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -113.63 155.41 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.624 ' N ' HD23 ' A' ' 29' ' ' LEU . 8.3 m-20 -134.13 149.04 51.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG23 ' A' ' 33' ' ' VAL . 3.1 tp -139.81 146.36 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.579 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -139.97 106.0 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.661 HG23 HD11 ' A' ' 31' ' ' LEU . 92.8 t -107.82 104.77 54.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.723 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.604 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.4 Cg_endo -69.82 122.46 9.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -97.89 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -87.26 82.93 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 41' ' ' LEU . 32.5 m -140.15 153.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -110.44 20.26 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.92 179.32 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -85.35 119.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 37' ' ' VAL . 61.4 mt -74.58 139.28 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mmmt -101.14 136.71 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -77.2 -36.61 54.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.4 m-20 -58.47 -40.84 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.692 HG12 HD23 ' A' ' 59' ' ' LEU . 34.3 m -94.97 153.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.97 107.4 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG13 HG22 ' A' ' 57' ' ' VAL . 73.8 t -122.63 95.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.66 121.33 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 79' ' ' SER . 62.7 mt -113.25 123.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -123.38 -176.08 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.2 tpp85 -64.44 -58.3 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -122.25 36.92 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 70' ' ' LEU . 38.3 t-80 -159.9 138.75 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 56' ' ' ARG . 15.5 tp -139.08 138.8 37.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' H ' HD12 ' A' ' 55' ' ' LEU . 35.3 ttt180 -137.13 131.92 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG22 HG13 ' A' ' 48' ' ' VAL . 53.4 t -134.94 154.35 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 153.13 -151.0 22.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD23 HG12 ' A' ' 46' ' ' VAL . 60.0 mt -119.59 160.81 21.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.857 0.36 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -60.07 131.02 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.11 -55.9 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -57.2 162.24 4.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.66 23.82 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 t -63.55 -38.87 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.45 116.43 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -151.1 108.32 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 146.1 5.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -53.47 133.6 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 54' ' ' HIS . 43.4 mt -71.5 142.3 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -49.2 -55.68 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -128.22 174.7 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -71.14 151.61 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.578 HG21 HD22 ' A' ' 93' ' ' LEU . 31.1 m -143.58 127.32 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -46.98 89.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -64.92 -37.29 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.91 -22.09 46.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.89 -32.21 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.557 ' HB3' HG21 ' A' ' 50' ' ' ILE . 18.7 m -47.08 150.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -165.84 173.53 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.603 ' HB3' HG13 ' A' ' 91' ' ' VAL . 40.2 p-90 -146.63 170.15 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.6 pp -162.17 140.56 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -78.92 123.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.6 mm-40 -99.13 143.8 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 41.3 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 48.57 17.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.51 -18.2 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 34' ' ' PRO . 61.9 t -122.24 157.54 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.494 ' N ' HG12 ' A' ' 88' ' ' VAL . 54.4 t -126.65 98.67 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.5 p -90.69 141.59 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' HB3' ' A' ' 81' ' ' TRP . 22.2 t -133.3 120.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -88.83 131.56 35.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.578 HD22 HG21 ' A' ' 74' ' ' VAL . 45.9 mt -119.74 116.7 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -83.66 118.82 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' CE ' ' CD1' ' A' ' 102' ' ' TRP . 72.8 mttt -75.38 120.11 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -44.53 -39.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -118.52 114.32 22.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -68.62 -9.46 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 11.8 mmt -105.84 36.23 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.0 tp10 -137.16 146.53 45.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.43 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 50.5 m95 -105.7 168.82 8.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.432 ' CD1' ' CE ' ' A' ' 95' ' ' LYS . 8.0 m95 -122.57 146.7 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -100.27 -16.87 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 107' ' ' THR . 37.2 ptt180 -174.76 156.88 2.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 56.1 tp -62.4 -54.06 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.7 m -133.52 179.17 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.422 HG22 HH21 ' A' ' 104' ' ' ARG . 20.8 p -83.99 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.5 t -122.76 -45.61 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.499 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -68.38 161.99 65.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.829 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.56 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.88 165.47 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 pt -145.04 141.54 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.58 126.98 29.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -98.05 137.16 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.54 110.1 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.5 t -65.42 169.86 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.67 153.98 18.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 119' ' ' SER . 54.0 Cg_endo -69.79 142.74 48.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 118' ' ' PRO . 4.2 m 34.63 38.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -71.85 103.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -115.64 42.52 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 69.38 41.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.99 112.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -44.31 103.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 p -135.5 133.1 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.33 35.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -112.21 152.6 44.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 179.99 3.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.43 ' HB2' ' N ' ' A' ' 15' ' ' ALA . 25.0 t30 -129.52 -177.47 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.8 -53.5 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.91 56.85 4.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 45.73 37.34 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.45 -135.39 8.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' N ' ' HB2' ' A' ' 10' ' ' ASN . . . -149.7 121.91 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.19 111.45 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.712 HD12 ' CE1' ' A' ' 20' ' ' TYR . 5.0 mt -113.29 153.28 45.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -89.75 -34.77 16.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.712 ' CE1' HD12 ' A' ' 17' ' ' LEU . 2.5 p90 -169.06 161.17 10.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -120.54 131.03 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.7 p-90 -138.1 144.61 40.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.3 p -117.75 176.08 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' HD11 ' A' ' 112' ' ' ILE . 26.1 pt20 -152.27 139.44 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.9 p -136.11 177.65 7.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.573 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 31.6 mt -80.95 17.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.96 -44.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -168.64 -179.66 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -111.0 158.71 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -140.04 115.0 9.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 32' ' ' ALA . 5.0 tp -112.43 140.8 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.708 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -136.84 119.68 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.054 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.784 HG11 HG11 ' A' ' 65' ' ' VAL . 92.3 t -112.45 100.04 48.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.5 Cg_endo -69.73 121.99 8.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -111.42 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -67.06 72.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m -115.64 148.58 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -109.43 26.42 10.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.4 -177.99 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -87.21 127.98 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 83' ' ' ILE . 54.5 mt -84.34 139.44 32.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -104.77 146.96 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.61 -36.65 4.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -76.43 -36.27 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.04 -39.46 72.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.776 HG12 HD23 ' A' ' 59' ' ' LEU . 30.1 m -95.48 164.36 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.44 108.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 56' ' ' ARG . 99.1 t -127.69 120.7 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.77 103.91 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.2 mt -94.52 128.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -130.87 179.55 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -62.75 -52.72 62.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 -126.0 34.5 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -158.13 142.87 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 93' ' ' LEU . 26.7 tp -141.1 148.26 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.624 ' H ' HD12 ' A' ' 55' ' ' LEU . 17.8 ttm180 -140.19 143.38 36.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -148.31 139.7 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.78 -167.84 40.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.776 HD23 HG12 ' A' ' 46' ' ' VAL . 19.1 mt -117.05 137.87 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -33.53 132.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 76.09 -56.37 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -57.22 162.38 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.96 61.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.037 HG13 HG23 ' A' ' 66' ' ' VAL . 10.4 p -48.37 -29.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.037 HG23 HG13 ' A' ' 65' ' ' VAL . 42.0 t -130.78 115.9 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 5.8 p-10 -153.16 106.41 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.39 147.71 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -54.71 131.95 44.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.33 148.04 50.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.01 -40.07 72.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -142.47 -178.69 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.7 154.34 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.778 HG21 HD22 ' A' ' 93' ' ' LEU . 18.8 m -146.81 123.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -46.28 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.6 p -70.57 -38.18 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.2 -21.89 60.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -106.03 -38.8 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -46.22 155.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.6 p -172.48 141.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.547 ' HB3' HG13 ' A' ' 91' ' ' VAL . 51.6 p-90 -111.72 171.73 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 pp -158.78 168.76 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.68 HD13 ' O ' ' A' ' 41' ' ' LEU . 72.3 mt -100.55 127.3 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' A' ' 82' ' ' LEU . 30.8 mm-40 -105.0 124.76 50.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' CB ' ' HG2' ' A' ' 87' ' ' LYS . 22.6 m-20 45.32 34.32 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.36 29.44 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.743 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.6 ptmt -131.33 -29.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 87' ' ' LYS . 22.7 t -122.93 156.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.451 ' N ' HG12 ' A' ' 88' ' ' VAL . 94.1 t -123.0 98.96 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -86.84 143.21 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.547 HG13 ' HB3' ' A' ' 81' ' ' TRP . 28.1 t -130.09 107.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -76.95 116.49 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 74' ' ' VAL . 33.5 mt -111.08 121.98 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.93 118.88 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.41 116.63 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.1 mm -44.25 -38.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -120.36 107.13 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' LEU . 17.6 mmtp -59.33 -33.06 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 7.8 mmt -84.63 29.69 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.25 137.55 52.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.573 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 60.1 m95 -102.8 167.61 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.403 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 8.8 m0 -124.0 140.14 53.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.32 -17.22 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -172.24 167.11 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 57.2 tp -69.74 -52.61 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.63 -176.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.2 p -83.95 25.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -125.45 -35.7 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.77 155.01 94.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.566 0.698 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.1 52.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.298 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.65 155.88 36.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.495 HD11 ' NE2' ' A' ' 24' ' ' GLN . 5.5 pt -134.98 140.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.81 117.88 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.1 p -102.89 152.93 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -158.41 144.42 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 t -101.35 -57.17 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -149.96 160.22 28.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 t 62.77 43.88 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -60.43 101.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -113.81 111.01 21.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -89.91 81.82 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.47 -114.99 7.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.431 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 m -155.33 145.12 21.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -89.12 86.44 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.68 99.25 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -131.31 150.77 77.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.86 167.06 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -43.02 -41.04 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -81.6 37.01 2.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 39.99 25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -99.29 -150.45 25.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.93 120.81 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.5 110.28 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -111.88 152.87 44.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.11 31.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -87.77 -34.56 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.607 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.8 p90 -172.38 159.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HG3' ' HB3' ' A' ' 32' ' ' ALA . 18.1 ptt180 -116.65 134.41 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.555 ' HB3' HD12 ' A' ' 31' ' ' LEU . 30.7 p-90 -139.92 135.39 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -118.54 140.97 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.733 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.3 pt20 -116.24 137.13 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.3 p -135.36 144.62 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.7 mt -37.81 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.3 -65.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.35 176.6 11.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -112.92 127.58 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.98 117.09 31.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 22' ' ' TRP . 6.3 tp -104.43 150.82 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . . . -141.23 115.18 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HG11 ' A' ' 65' ' ' VAL . 59.8 t -116.4 105.55 50.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 111.082 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 122.73 9.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 3.3 m-30 -99.11 113.33 25.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -61.65 82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 35' ' ' PHE . 35.1 m -140.87 154.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -111.83 24.28 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.4 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 29.9 p90 -141.92 -174.96 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -92.73 124.96 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' HB2' HG21 ' A' ' 83' ' ' ILE . 34.9 mt -76.96 155.01 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 24.3 mmtt -119.67 133.55 55.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.81 -35.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -74.97 -38.68 61.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 42' ' ' LYS . 83.3 m-20 -59.15 -40.45 85.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -92.76 148.65 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.6 t -124.23 97.79 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 57' ' ' VAL . 43.0 t -115.36 99.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.68 117.41 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.553 HG21 ' HB3' ' A' ' 79' ' ' SER . 70.1 mt -107.64 115.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -113.34 -177.27 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -63.23 -56.21 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -123.69 36.22 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -159.3 142.79 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 93' ' ' LEU . 14.8 tp -144.61 144.98 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -139.28 145.63 39.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 48' ' ' VAL . 83.3 t -146.15 140.08 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.79 166.89 14.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD2' ' CE2' ' A' ' 35' ' ' PHE . 4.4 mm? -75.64 135.38 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' LEU . 1.4 tmtp? -34.29 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -80.76 57.14 4.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 mt-30 -168.36 166.41 7.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 62' ' ' GLN . 53.7 Cg_endo -69.73 137.0 34.49 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.045 HG13 HG23 ' A' ' 66' ' ' VAL . 7.2 p -55.75 -29.7 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.045 HG23 HG13 ' A' ' 65' ' ' VAL . 47.9 t -127.47 111.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.96 109.18 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.06 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.79 132.33 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.61 148.31 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -55.7 -50.64 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -137.34 -178.55 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -72.13 140.73 49.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.582 HG21 HD22 ' A' ' 93' ' ' LEU . 18.8 m -134.41 120.99 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -42.09 93.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -68.77 -40.41 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -58.16 -21.65 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' OE1' ' A' ' 94' ' ' GLU . 18.1 mm-40 -106.25 -33.44 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.553 ' HB3' HG21 ' A' ' 50' ' ' ILE . 5.7 m -48.12 155.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -174.5 151.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CB ' HG22 ' A' ' 91' ' ' VAL . 58.2 p-90 -123.89 171.61 9.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.29 144.71 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 41' ' ' LEU . 10.4 mt -85.81 113.54 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.67 133.37 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 31.2 t0 56.3 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 19.5 0.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 9.4 ptpt -131.7 -28.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.24 146.08 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.66 102.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.8 p -95.58 127.34 41.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 81' ' ' TRP . 60.9 t -113.21 120.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -91.33 113.73 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 74' ' ' VAL . 36.5 mt -105.86 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 2.3 tt0 -83.34 125.13 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' ILE . 73.6 mttt -81.79 113.58 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' LYS . 17.8 mm -34.09 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' LYS . 44.3 t30 -124.58 126.56 46.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -75.41 -14.2 60.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.3 mmt -100.74 35.82 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -135.48 145.17 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 44.4 m95 -106.34 165.76 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.493 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.2 m95 -120.67 141.08 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -94.12 -19.65 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -175.1 156.01 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.577 ' HG ' HG13 ' A' ' 106' ' ' VAL . 36.2 tp -61.3 -65.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.577 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.9 m -128.35 150.28 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.0 p -42.01 -29.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 t -71.04 -45.22 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.466 ' H ' HG23 ' A' ' 106' ' ' VAL . 5.2 m-20 -59.97 156.04 39.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.47 67.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.02 148.93 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.733 HD11 ' NE2' ' A' ' 24' ' ' GLN . 5.4 pt -130.0 130.31 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.53 120.19 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.6 p -105.92 120.31 41.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -133.88 142.23 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.9 p -146.27 106.58 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -175.48 147.94 9.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.75 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.0 t -71.97 145.49 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.6 m -159.37 155.87 27.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -147.84 150.76 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -123.31 81.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.49 129.23 8.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.527 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -58.42 -53.04 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -58.08 129.26 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 171.33 38.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -113.75 153.4 45.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.92 10.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.91 -178.82 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.25 -39.53 69.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.02 35.89 2.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 15.1 m120 41.62 30.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.52 -147.76 20.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.12 121.22 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.79 109.73 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -111.12 150.82 42.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -20.09 35.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -89.79 -32.75 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CE2' HG22 ' A' ' 66' ' ' VAL . 5.1 p90 -174.45 153.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -110.24 136.31 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 48.2 p-90 -142.85 137.44 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -122.43 147.86 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' A' ' 112' ' ' ILE . 8.0 pt20 -124.57 127.41 47.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.6 p -125.23 143.73 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -37.09 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.97 -67.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -150.58 177.41 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -111.17 140.51 45.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.64 117.24 24.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.816 HD12 ' H ' ' A' ' 32' ' ' ALA . 6.1 tp -105.33 148.12 27.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.816 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.21 112.73 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.6 t -109.42 103.71 53.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.735 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.8 121.96 8.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 26.3 m-85 -107.29 111.8 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -60.71 76.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' PHE . 33.6 m -123.23 149.61 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -109.32 25.97 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -145.96 -176.8 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -90.92 128.06 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.63 150.52 25.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.2 mmtp -122.82 140.12 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.45 -38.88 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 45' ' ' ASP . 1.6 pptp? -75.14 -36.52 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.464 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 26.5 t0 -60.17 -38.67 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.704 HG12 ' CD2' ' A' ' 59' ' ' LEU . 34.9 m -96.24 152.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' NH2' ' A' ' 56' ' ' ARG . 53.3 t -119.4 113.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.12 120.32 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.25 104.3 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.5 mt -93.42 131.61 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -128.15 178.19 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.76 -52.04 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -125.54 34.97 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.442 ' N ' HD12 ' A' ' 70' ' ' LEU . 12.5 t-80 -161.23 149.9 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.605 HD22 HD11 ' A' ' 93' ' ' LEU . 18.2 tp -146.59 147.25 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' H ' HD12 ' A' ' 55' ' ' LEU . 33.3 ttp180 -139.12 136.74 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' VAL . 84.1 t -140.1 137.32 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.67 -155.99 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.704 ' CD2' HG12 ' A' ' 46' ' ' VAL . 36.8 mt -129.98 145.9 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 2.5 tmtp? -33.62 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -85.51 60.46 4.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.499 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 2.8 mt-30 -177.33 155.35 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.42 67.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' VAL . 59.2 t -54.31 -38.44 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 20' ' ' TYR . 82.7 t -117.62 109.86 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -139.96 111.58 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 174.17 151.63 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.98 133.44 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 54' ' ' HIS . 25.3 mt -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -49.89 -53.2 27.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -131.25 -175.04 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -78.61 142.6 37.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.873 HG21 HD22 ' A' ' 93' ' ' LEU . 21.2 m -135.18 123.21 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -44.46 95.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -72.53 -40.25 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -57.04 -21.09 28.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -107.46 -39.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 m -47.26 152.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.6 p -168.25 147.01 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.436 ' HB3' HG13 ' A' ' 91' ' ' VAL . 41.1 p-90 -112.3 170.76 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.9 pp -158.93 143.16 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 42.8 mt -78.52 128.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.56 ' HG2' HD11 ' A' ' 82' ' ' LEU . 1.7 mm-40 -107.27 124.51 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' CB ' ' HG2' ' A' ' 87' ' ' LYS . 75.8 m-20 47.91 30.62 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.485 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 42.52 28.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.54 ' HG3' HG23 ' A' ' 88' ' ' VAL . 9.0 ptpt -131.24 -28.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.54 HG23 ' HG3' ' A' ' 87' ' ' LYS . 20.1 t -123.97 149.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.42 99.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -88.1 139.01 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.436 HG13 ' HB3' ' A' ' 81' ' ' TRP . 37.8 t -129.16 111.46 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -81.11 116.98 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.873 HD22 HG21 ' A' ' 74' ' ' VAL . 44.8 mt -110.67 116.46 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -83.16 124.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ILE . 74.7 mttt -79.41 111.03 15.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.3 mm -33.67 -36.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' LYS . 19.6 m120 -125.29 121.62 34.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 36.6 mmtt -73.99 -17.06 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.6 mmt -97.35 32.04 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.96 142.2 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.556 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 57.5 m95 -101.1 174.31 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.475 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.4 m0 -125.89 148.15 49.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -96.57 -20.88 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.433 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 13.7 ptt-85 -174.83 165.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HG ' HG13 ' A' ' 106' ' ' VAL . 53.6 tp -67.5 -56.82 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.562 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.2 m -137.16 151.3 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.8 p -46.36 -40.33 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.1 m -60.7 -31.97 71.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.12 161.46 73.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.52 18.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.84 146.22 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 24' ' ' GLN . 6.9 pt -124.8 134.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -55.26 122.13 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.8 p -96.38 155.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -133.49 141.01 47.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.8 t -136.64 123.41 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.91 78.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.331 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.2 m -49.83 105.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.3 p -123.52 169.82 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.903 0.383 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -96.31 -148.58 24.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.04 128.37 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -89.45 102.89 15.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.841 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -97.8 152.68 38.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -15.63 37.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.86 -26.98 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.841 ' CE1' HD12 ' A' ' 17' ' ' LEU . 19.6 p90 -174.32 170.03 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HG2' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -126.01 142.12 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.742 ' CG ' HD23 ' A' ' 105' ' ' LEU . 51.6 p-90 -148.94 148.74 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -120.63 157.51 29.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.0 pt20 -142.2 134.69 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 p -137.14 174.08 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 101' ' ' TRP . 12.0 mt -63.9 -11.59 29.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.16 -69.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -150.87 174.19 13.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -112.75 153.25 28.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.658 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.2 t70 -136.15 139.95 43.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 32' ' ' ALA . 3.3 tp -125.28 142.91 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.659 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -135.08 107.2 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 31' ' ' LEU . 59.7 t -102.91 98.11 10.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.62 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.9 Cg_endo -69.8 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 59' ' ' LEU . 52.5 m-85 -105.97 129.05 54.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -71.48 72.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 m -119.27 158.53 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -116.89 6.63 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -127.44 -176.34 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -89.31 129.26 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 83' ' ' ILE . 91.7 mt -86.04 137.33 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -105.84 143.54 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.03 -27.97 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -83.41 -37.4 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.63 -38.73 75.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG12 HD23 ' A' ' 59' ' ' LEU . 26.8 m -96.33 159.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -129.62 97.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 57' ' ' VAL . 70.8 t -115.6 106.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.83 118.31 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 79' ' ' SER . 53.9 mt -110.4 128.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -130.22 -177.98 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -55.13 -63.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.0 ttm180 -121.5 29.47 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -146.05 134.99 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 93' ' ' LEU . 18.7 tp -137.79 141.74 40.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -139.42 140.03 37.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.543 HG22 HG13 ' A' ' 48' ' ' VAL . 74.4 t -145.5 142.52 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.26 -151.93 14.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.713 HD23 HG12 ' A' ' 46' ' ' VAL . 3.6 mt -130.95 140.5 50.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -44.24 131.42 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.29 -53.98 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.458 ' CD ' ' HD2' ' A' ' 63' ' ' PRO . 4.4 mm100 -66.73 163.08 45.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.458 ' HD2' ' CD ' ' A' ' 62' ' ' GLN . 53.2 Cg_endo -69.73 144.08 53.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.69 5.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.62 -40.08 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 20' ' ' TYR . 87.9 t -120.19 113.53 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.75 105.52 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.17 163.08 27.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.22 143.88 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.45 147.03 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.567 ' HB3' ' CE3' ' A' ' 102' ' ' TRP . 24.5 t80 -50.48 -41.53 53.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.426 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 3.3 t30 -147.78 174.83 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 12.1 mt-10 -67.51 142.59 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.547 HG21 HD22 ' A' ' 93' ' ' LEU . 23.9 m -135.24 121.07 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -43.91 91.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.9 p -66.97 -42.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' VAL . 5.7 mt-10 -54.64 -14.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.11 -36.83 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.482 ' HB3' HG21 ' A' ' 50' ' ' ILE . 6.7 m -45.39 154.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 m -169.52 156.34 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.464 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -131.09 164.2 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -151.7 156.28 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 41' ' ' LEU . 35.2 mt -90.81 130.88 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -105.52 126.18 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 48.14 27.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.466 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 49.1 24.28 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.773 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.5 ptmt -127.13 -33.17 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.773 HG23 ' HG3' ' A' ' 87' ' ' LYS . 71.1 t -116.39 159.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.519 ' N ' HG12 ' A' ' 88' ' ' VAL . 38.9 t -125.4 99.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -85.62 141.15 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 81' ' ' TRP . 59.3 t -131.67 119.12 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -90.13 131.11 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.547 HD22 HG21 ' A' ' 74' ' ' VAL . 43.9 mt -120.94 116.06 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -83.42 122.83 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ASN . 63.2 mttt -78.07 112.28 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 95' ' ' LYS . 33.6 mm -37.11 -30.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LYS . 58.2 m-20 -133.25 123.0 24.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.44 3.25 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 91.0 mmm -112.58 28.39 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -128.25 143.85 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.754 ' CD1' HD21 ' A' ' 26' ' ' LEU . 43.0 m95 -114.34 142.21 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 71' ' ' TYR . 11.1 m95 -97.18 152.35 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -110.03 -10.43 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -175.3 162.7 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD23 ' CG ' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -63.4 -59.44 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.747 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.7 m -130.52 -177.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.7 p -82.09 12.58 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.554 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.6 t -107.63 -38.82 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.747 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -76.58 160.79 76.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 166.78 26.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -98.11 168.67 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.14 -147.65 13.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.28 121.01 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -82.55 109.44 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -112.99 150.99 43.75 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.81 30.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.98 -34.83 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.576 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.1 p90 -171.18 155.42 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' HG3' ' HB3' ' A' ' 32' ' ' ALA . 16.1 ptm180 -115.12 135.6 54.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.46 ' CH2' ' HA ' ' A' ' 104' ' ' ARG . 45.9 p-90 -143.07 139.14 30.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -120.05 149.02 42.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.3 pt20 -128.63 137.89 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ALA . 54.6 p -137.24 148.44 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 101' ' ' TRP . 54.6 mt -40.49 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -82.65 -67.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.9 176.68 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.826 HD23 ' H ' ' A' ' 30' ' ' ASP . 1.3 tt -112.79 167.0 10.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.826 ' H ' HD23 ' A' ' 29' ' ' LEU . 66.0 m-20 -149.77 143.66 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.19 141.74 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . . . -132.96 105.7 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.41 96.39 7.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.68 121.97 8.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.557 ' CD1' HD11 ' A' ' 59' ' ' LEU . 54.5 m-85 -105.26 124.64 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -69.07 70.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.432 HG11 HD21 ' A' ' 41' ' ' LEU . 32.6 m -114.64 147.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 18.31 21.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -140.2 -178.89 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -83.08 133.0 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD21 HG11 ' A' ' 37' ' ' VAL . 83.1 mt -87.2 135.72 33.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' ASP . 64.2 mmtt -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.2 -33.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -78.14 -34.75 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' LYS . 25.0 t0 -59.79 -42.16 92.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG12 HD23 ' A' ' 59' ' ' LEU . 34.4 m -92.81 158.31 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.94 103.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG22 HG22 ' A' ' 57' ' ' VAL . 55.2 t -122.77 114.24 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -109.06 107.2 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB3' ' A' ' 79' ' ' SER . 41.0 mt -97.73 128.27 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -127.66 -175.95 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.68 -52.75 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.4 32.65 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.0 t-80 -153.49 139.52 18.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.788 HD22 HD11 ' A' ' 93' ' ' LEU . 20.3 tp -143.31 141.54 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 12.0 ttm180 -139.51 146.35 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.57 HG22 HG22 ' A' ' 48' ' ' VAL . 95.7 t -146.72 142.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.87 -150.3 12.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.612 HD23 HG12 ' A' ' 46' ' ' VAL . 7.5 mt -135.81 136.86 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -39.9 136.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.15 -49.57 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.11 160.52 82.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' A' ' 20' ' ' TYR . 78.5 t -116.17 113.28 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -144.66 106.45 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.93 150.4 9.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.39 140.79 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' HIS . 41.4 mt -75.59 140.23 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -49.61 -44.2 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -143.31 168.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.44 145.11 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 93' ' ' LEU . 23.0 m -136.36 123.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -43.74 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.8 p -69.12 -37.53 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.77 -22.38 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -109.4 -36.74 5.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.469 ' HB3' HG21 ' A' ' 50' ' ' ILE . 58.8 m -44.88 156.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -174.37 169.62 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.432 ' HB3' HG13 ' A' ' 91' ' ' VAL . 63.2 p-90 -140.92 166.84 23.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -157.8 162.11 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.569 HG21 ' HA2' ' A' ' 86' ' ' GLY . 55.6 mt -92.4 138.94 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.0 109.82 19.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.1 26.73 10.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.569 ' HA2' HG21 ' A' ' 83' ' ' ILE . . . 50.72 25.82 9.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.833 ' HG3' HG23 ' A' ' 88' ' ' VAL . 16.7 ptmt -131.43 -43.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.833 HG23 ' HG3' ' A' ' 87' ' ' LYS . 60.3 t -103.49 159.46 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.521 ' N ' HG12 ' A' ' 88' ' ' VAL . 42.7 t -127.41 99.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 p -85.91 140.54 30.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 81' ' ' TRP . 41.5 t -129.01 113.79 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.7 123.5 31.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.788 HD11 HD22 ' A' ' 55' ' ' LEU . 54.6 mt -113.94 117.99 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.56 119.86 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -78.19 120.39 22.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.5 mm -45.64 -43.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.69 111.34 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -68.08 -3.79 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 87.6 mmm -116.19 34.02 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -131.87 145.24 51.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.524 ' CD1' HD21 ' A' ' 26' ' ' LEU . 59.5 m95 -103.43 162.41 13.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.491 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.3 m0 -118.08 143.39 46.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 32.4 t30 -91.62 -21.95 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 16.8 ptt180 -175.04 160.59 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.32 -58.84 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 109' ' ' ASP . 4.5 m -133.9 150.55 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.5 p -46.52 -28.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -66.68 -48.58 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.446 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.3 m-20 -60.86 161.32 15.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.17 46.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.455 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 2.6 mp0 -95.19 156.84 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.401 HD11 HE22 ' A' ' 24' ' ' GLN . 1.6 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.528 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -93.42 -133.78 6.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . . . -149.54 120.19 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.86 101.84 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.731 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.5 mt -108.72 153.69 42.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -22.39 32.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -89.9 -33.22 16.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.731 ' CD1' HD12 ' A' ' 17' ' ' LEU . 3.4 p90 -173.08 156.24 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.74 139.88 50.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.551 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 67.6 p-90 -137.88 150.65 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.1 p -122.94 156.88 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.545 ' NE2' HD11 ' A' ' 112' ' ' ILE . 16.5 pt20 -135.21 135.41 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.5 p -134.61 141.55 46.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.4 mt -37.19 -28.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -64.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.76 175.06 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.6 tt -111.07 167.24 10.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.828 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.4 t70 -149.9 149.95 31.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.541 HD12 ' H ' ' A' ' 32' ' ' ALA . 2.3 tp -136.98 147.36 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.541 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -137.88 112.83 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -110.06 103.82 54.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.707 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.39 12.1 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -111.68 116.86 31.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -63.46 80.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 41' ' ' LEU . 27.0 m -125.06 145.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -103.24 21.74 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -146.04 -175.43 4.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -92.05 121.96 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 37' ' ' VAL . 74.8 mt -72.07 155.82 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.4 mmpt? -123.6 142.94 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.2 -38.77 3.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.58 56.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.737 0.304 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 19.7 t0 -64.64 -40.58 95.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.677 HG12 HD23 ' A' ' 59' ' ' LEU . 34.8 m -93.49 156.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.9 t -125.83 107.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 57' ' ' VAL . 83.4 t -123.67 113.71 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.49 110.75 21.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 91' ' ' VAL . 70.5 mt -104.35 128.57 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -128.08 -178.99 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.85 -52.15 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -127.76 33.73 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.33 139.4 15.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 93' ' ' LEU . 21.5 tp -138.93 141.69 38.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -140.01 138.95 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.537 HG13 HG22 ' A' ' 48' ' ' VAL . 89.3 t -143.73 142.65 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.09 -149.04 11.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.677 HD23 HG12 ' A' ' 46' ' ' VAL . 14.1 mt -132.91 147.59 52.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -48.32 133.38 15.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.8 -49.89 2.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.49 161.05 68.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.51 57.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.619 2.212 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 119.93 6.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.32 -38.54 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.4 119.29 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -151.51 115.55 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.53 154.73 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -66.41 131.66 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.31 138.87 57.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -50.73 -44.02 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -139.28 171.2 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.88 155.82 32.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 74' ' ' VAL . 27.6 m -149.72 121.69 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -46.04 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.5 p -69.31 -40.42 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.33 -21.54 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -105.74 -39.57 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 m -45.22 147.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -163.56 149.6 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.451 ' CB ' HG22 ' A' ' 91' ' ' VAL . 39.4 p-90 -118.63 175.32 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -163.38 151.08 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.486 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 88.3 mt -85.05 129.11 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.34 122.08 45.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 46.63 35.45 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.486 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.64 32.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.441 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 88' ' ' VAL . 19.4 ptmt -134.36 -31.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.685 HG23 ' HG3' ' A' ' 87' ' ' LYS . 36.6 t -121.25 154.92 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.432 ' N ' HG12 ' A' ' 88' ' ' VAL . 78.5 t -120.35 100.57 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.8 p -89.53 139.15 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 50' ' ' ILE . 46.6 t -130.15 118.5 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 130.85 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.497 HD11 HD22 ' A' ' 55' ' ' LEU . 52.1 mt -118.86 119.64 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 123.42 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 66.8 mttt -81.36 108.53 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.545 HG22 ' ND2' ' A' ' 97' ' ' ASN . 37.2 mm -35.25 -40.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.545 ' ND2' HG22 ' A' ' 96' ' ' ILE . 5.6 m-80 -120.44 120.13 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.73 -22.59 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.0 mmt -93.02 32.29 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -133.73 145.52 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.514 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 55.6 m95 -107.68 172.05 7.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -126.25 141.19 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 0.4 OUTLIER -93.98 -15.89 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -175.06 166.34 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.11 -50.91 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 109' ' ' ASP . 9.9 m -150.81 144.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' VAL . 61.8 p -33.35 -39.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.9 t -61.3 -51.18 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' VAL . 9.4 m-20 -60.61 160.98 15.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.47 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 1.9 mp0 -95.57 145.14 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.545 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.6 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.17 -143.08 12.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.45 120.12 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.73 0.3 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.02 107.44 13.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.622 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -108.39 151.3 41.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.99 35.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -90.8 -31.99 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.622 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.4 p90 -174.43 158.1 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -114.45 132.56 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.9 p-90 -139.34 136.89 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -120.57 153.68 36.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 10.8 pt20 -132.12 133.69 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -131.21 -177.17 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.567 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 27.8 mt -82.05 16.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB3' ' OE2' ' A' ' 28' ' ' GLU . . . -127.0 -48.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -164.53 174.52 10.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.605 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.4 tt -114.0 123.24 49.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.22 137.52 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 32' ' ' ALA . 5.8 tp -134.76 134.23 40.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -134.14 116.27 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 65' ' ' VAL . 73.4 t -110.25 98.81 37.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.675 0.75 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 123.42 10.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.546 ' HB3' HG13 ' A' ' 37' ' ' VAL . 38.1 m-85 -106.85 139.95 40.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -79.85 49.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.587 HG11 HD21 ' A' ' 41' ' ' LEU . 26.1 m -90.74 152.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -115.47 18.53 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -145.16 -179.35 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -79.27 115.15 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.587 HD21 HG11 ' A' ' 37' ' ' VAL . 25.9 mt -67.79 137.62 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -111.98 139.54 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.13 -38.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -72.31 -38.65 68.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.54 -40.76 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.668 HG12 HD23 ' A' ' 59' ' ' LEU . 35.1 m -93.93 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -120.15 101.78 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.515 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 54.6 t -119.37 114.15 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -110.32 115.12 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.0 mt -105.42 132.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -130.82 176.25 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -57.14 -50.53 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -130.55 38.38 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -161.11 136.6 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD22 HD11 ' A' ' 93' ' ' LEU . 30.2 tp -134.54 144.45 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -137.37 138.42 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -144.59 143.56 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.91 -153.0 21.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.668 HD23 HG12 ' A' ' 46' ' ' VAL . 9.8 mt -131.78 138.73 48.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 1.2 tmtp? -40.54 126.99 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 84.03 -54.05 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.37 163.0 15.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.1 55.93 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 112.39 3.07 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.991 HG13 HG23 ' A' ' 66' ' ' VAL . 10.8 p -63.73 -30.66 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.991 HG23 HG13 ' A' ' 65' ' ' VAL . 48.2 t -128.91 112.65 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -148.69 105.35 3.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.56 161.27 30.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -72.5 126.61 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.06 131.36 49.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.64 -36.32 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -143.96 -179.4 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.43 146.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 93' ' ' LEU . 19.9 m -138.88 122.67 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -43.11 95.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.0 p -73.04 -40.83 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -57.59 -21.51 39.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -106.22 -39.49 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -47.04 152.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.5 p -170.4 147.3 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.67 ' CB ' HG22 ' A' ' 91' ' ' VAL . 66.2 p-90 -119.92 164.11 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.2 pp -144.72 168.82 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.712 ' N ' HD12 ' A' ' 82' ' ' LEU . 63.5 mt -102.23 117.91 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.22 129.06 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' LYS . 47.5 m-20 40.1 34.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.28 24.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.604 ' HG3' HG23 ' A' ' 88' ' ' VAL . 2.0 ptpp? -127.09 -18.64 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' A' ' 87' ' ' LYS . 7.6 t -135.16 146.51 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.5 t -114.72 98.77 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -86.82 138.4 31.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 81' ' ' TRP . 58.4 t -127.13 120.48 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -90.09 118.51 29.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 74' ' ' VAL . 26.7 mt -111.54 115.96 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.52 115.46 22.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.72 114.39 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -40.17 -34.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -124.8 111.48 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 29.3 mmtp -62.74 -32.01 73.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 32.0 mmt -86.39 28.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.23 141.31 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.567 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 48.7 m95 -106.94 154.81 20.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 9.1 m0 -112.27 148.78 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.42 -16.07 16.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -174.71 162.76 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.9 tp -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.45 146.4 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.2 p -39.53 -41.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -55.21 -47.22 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.62 161.31 71.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.13 66.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.86 144.54 25.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 56.3 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.02 -148.97 18.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.53 120.85 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.75 105.89 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -109.39 152.81 42.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -24.86 29.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -85.98 -35.89 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CD1' HD12 ' A' ' 17' ' ' LEU . 7.3 p90 -170.62 152.16 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -114.98 135.92 53.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 42.1 p-90 -141.47 138.08 32.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -119.09 147.78 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 4.1 pt20 -122.93 139.95 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 30.7 p -137.95 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.5 mt -37.3 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -67.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -150.28 177.78 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.785 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.2 m-20 -146.6 132.62 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 32' ' ' ALA . 4.6 tp -123.49 133.4 54.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.584 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -126.12 119.4 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 35' ' ' PHE . 78.7 t -114.44 95.99 41.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.7 126.34 13.24 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.712 ' CE1' HD21 ' A' ' 59' ' ' LEU . 97.0 m-85 -115.68 115.18 25.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -60.84 78.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' PHE . 23.6 m -121.25 148.3 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -105.24 10.81 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -130.96 -178.04 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -85.88 132.84 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HB2' HG21 ' A' ' 83' ' ' ILE . 22.4 mt -87.63 130.86 34.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ASP . 26.5 mmmt -108.88 135.79 49.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.45 -33.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -38.15 59.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' LYS . 63.2 m-20 -57.01 -38.14 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 HD13 ' A' ' 59' ' ' LEU . 34.1 m -102.33 167.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.32 106.54 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 74.0 t -122.6 113.91 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -106.66 117.48 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.41 HG12 HD13 ' A' ' 55' ' ' LEU . 44.5 mt -108.55 128.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -126.2 -176.97 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -59.73 -53.34 59.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.2 ttm180 -129.98 28.01 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -147.04 135.25 21.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.573 HD22 HD11 ' A' ' 93' ' ' LEU . 18.3 tp -135.43 140.37 44.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -136.49 135.03 38.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 48' ' ' VAL . 62.7 t -139.51 140.41 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.89 155.43 9.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.712 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -70.66 132.06 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LEU . 6.3 tmtm? -31.61 -72.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -78.74 58.42 4.21 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 3.7 mt-30 -175.3 165.1 2.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.44 69.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 109.07 2.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.98 -31.5 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -128.11 107.76 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -133.33 102.85 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -173.68 160.83 31.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.864 ' O ' HG23 ' A' ' 107' ' ' THR . 19.3 tt0 -82.36 125.52 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.39 146.4 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -64.5 -35.48 81.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -140.66 170.34 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 7.8 mt-10 -70.13 146.05 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.618 HG21 HD22 ' A' ' 93' ' ' LEU . 10.3 m -139.26 126.04 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -49.23 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.4 p -67.16 -42.92 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 76' ' ' VAL . 14.9 mt-10 -53.12 -19.03 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.23 -31.7 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -52.18 153.48 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -171.84 150.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CE3' HG13 ' A' ' 89' ' ' VAL . 50.0 p-90 -124.08 158.03 33.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 82' ' ' LEU . 4.4 pp -144.37 154.02 42.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 21.9 mt -91.65 117.69 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.96 133.56 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.432 ' HB3' ' CD ' ' A' ' 87' ' ' LYS . 2.7 t70 43.48 35.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.3 24.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.78 ' HG3' HG23 ' A' ' 88' ' ' VAL . 4.8 ptmt -126.74 -34.71 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.78 HG23 ' HG3' ' A' ' 87' ' ' LYS . 66.9 t -115.77 158.32 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.654 HG13 ' CE3' ' A' ' 81' ' ' TRP . 60.2 t -127.56 93.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.2 p -80.17 139.04 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 81' ' ' TRP . 21.6 t -125.12 114.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -85.76 123.23 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 74' ' ' VAL . 61.9 mt -115.13 114.24 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.42 125.0 31.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -83.67 121.84 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.42 HG22 ' ND2' ' A' ' 97' ' ' ASN . 41.2 mm -44.12 -36.47 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.42 ' ND2' HG22 ' A' ' 96' ' ' ILE . 4.6 m-80 -120.75 121.66 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.89 -9.63 58.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 mmt -106.76 35.86 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -129.93 143.2 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.518 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 33.7 m95 -111.05 144.26 40.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.432 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 13.8 m0 -104.72 158.12 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -119.48 -8.16 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.603 HH21 HG22 ' A' ' 107' ' ' THR . 34.6 ptt180 -171.73 138.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' OD2' ' A' ' 109' ' ' ASP . 10.0 tp -52.26 -62.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.96 -177.66 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 69' ' ' GLU . 56.6 p -76.51 -19.88 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.2 m -87.59 -5.06 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.481 ' OD2' HD23 ' A' ' 105' ' ' LEU . 8.0 m-20 -103.33 158.17 32.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.92 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 4.1 mp0 -108.26 166.01 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.24 -139.78 5.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.48 120.22 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.45 107.6 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -106.53 151.87 40.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.35 37.07 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -92.84 -30.81 15.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.3 p90 -174.19 160.26 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 127.5 53.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 19.5 p-90 -135.04 135.42 41.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.4 p -118.05 159.58 22.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.709 ' NE2' HD11 ' A' ' 112' ' ' ILE . 6.7 pt20 -135.79 135.65 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ALA . 56.6 p -133.89 144.46 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.4 mt -36.16 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.24 -67.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.81 175.99 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.577 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -113.25 138.16 50.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -114.86 155.95 25.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 32' ' ' ALA . 4.2 tp -146.86 143.83 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.501 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.24 108.38 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.974 HG11 HG11 ' A' ' 65' ' ' VAL . 87.0 t -104.94 103.59 42.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo -69.77 121.94 8.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' VAL . 27.0 m-85 -106.22 113.14 26.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -62.84 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.529 HG11 HD21 ' A' ' 41' ' ' LEU . 27.9 m -127.08 148.52 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -105.0 22.6 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -146.47 -175.26 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -89.48 129.85 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.529 HD21 HG11 ' A' ' 37' ' ' VAL . 74.1 mt -85.62 131.56 34.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ASP . 23.5 mmmt -98.97 139.8 34.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.2 -39.04 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -70.9 -38.1 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.7 m-20 -58.04 -41.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.696 HG12 HD23 ' A' ' 59' ' ' LEU . 35.0 m -93.02 154.14 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.68 106.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 57' ' ' VAL . 75.2 t -122.13 113.38 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -106.12 112.94 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.544 HG22 HG23 ' A' ' 76' ' ' VAL . 79.3 mt -106.83 118.21 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -121.09 176.57 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -57.23 -51.02 71.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 ttp-105 -131.28 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.478 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.2 t-160 -162.27 125.4 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 93' ' ' LEU . 34.4 tp -124.28 141.92 51.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' H ' HD12 ' A' ' 55' ' ' LEU . 30.7 ttt180 -140.18 142.44 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 48' ' ' VAL . 98.1 t -148.69 142.28 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.09 -152.11 17.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.696 HD23 HG12 ' A' ' 46' ' ' VAL . 6.1 mt -132.2 141.55 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -40.93 135.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 -57.95 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.33 161.71 17.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.08 52.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.62 3.13 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.974 HG11 HG11 ' A' ' 33' ' ' VAL . 9.9 p -55.62 -33.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.737 HG23 HG13 ' A' ' 65' ' ' VAL . 61.1 t -129.23 118.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -154.73 117.46 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.12 160.22 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -64.3 133.03 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 54' ' ' HIS . 28.3 mt -71.88 133.74 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -42.4 -48.03 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -138.93 178.49 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -68.7 152.02 45.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 74' ' ' VAL . 22.8 m -146.72 121.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -43.51 95.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG23 HG22 ' A' ' 50' ' ' ILE . 7.5 p -73.98 -37.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.43 -23.82 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -105.17 -39.44 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -49.71 153.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -168.13 173.46 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -141.34 171.54 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 pp -158.93 146.01 17.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 41' ' ' LEU . 50.3 mt -81.68 125.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -101.72 128.09 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.7 m-20 42.57 37.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.56 27.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.531 ' HG3' HG23 ' A' ' 88' ' ' VAL . 9.5 ptpt -128.8 -27.82 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' A' ' 87' ' ' LYS . 28.9 t -125.4 158.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.486 ' N ' HG12 ' A' ' 88' ' ' VAL . 69.0 t -125.38 100.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.2 p -87.1 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.462 ' HB ' HD23 ' A' ' 31' ' ' LEU . 58.9 t -129.42 116.07 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 2.1 t60 -89.06 123.2 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.653 HD11 HD22 ' A' ' 55' ' ' LEU . 35.0 mt -112.62 117.41 32.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.29 124.64 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.4 mttt -83.19 109.1 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' LYS . 35.9 mm -33.89 -43.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -116.89 116.38 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 27.3 mmtp -69.06 -18.26 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.5 mmt -95.98 32.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -136.18 144.27 44.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.521 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 64.8 m95 -100.97 176.64 5.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 5.7 m95 -130.49 138.34 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -86.75 -24.41 25.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 31.1 ptt180 -174.91 170.28 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.455 ' HG ' HG13 ' A' ' 106' ' ' VAL . 58.6 tp -72.91 -58.36 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.455 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.6 m -133.75 145.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.1 p -39.32 -41.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.5 t -56.27 -41.93 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 106' ' ' VAL . 1.1 m-20 -65.58 159.87 64.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.83 20.32 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.16 150.58 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.709 HD11 ' NE2' ' A' ' 24' ' ' GLN . 15.6 pt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.901 0.382 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.18 -141.1 5.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.07 122.81 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.92 101.14 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.93 151.85 37.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.83 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -89.56 -33.07 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.692 ' CE2' HG12 ' A' ' 65' ' ' VAL . 3.3 p90 -170.4 162.15 8.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -120.08 130.71 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -139.73 138.56 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.7 p -117.86 172.02 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.2 pt20 -151.56 138.64 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 45.7 p -136.5 -175.94 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.504 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.7 mt -82.47 23.44 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 -47.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -167.06 173.81 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -110.96 135.89 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -111.94 135.65 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 32' ' ' ALA . 7.7 tp -133.54 141.31 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.511 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -141.66 112.62 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 94.3 t -102.62 98.78 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.76 127.21 14.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 37' ' ' VAL . 41.2 m-85 -112.43 152.39 28.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -92.61 46.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.579 HG11 HD21 ' A' ' 41' ' ' LEU . 21.1 m -90.05 147.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 18.99 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.37 -175.15 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -87.44 129.24 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 83' ' ' ILE . 87.2 mt -90.06 130.43 36.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.5 mmmt -100.53 144.37 29.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.93 -37.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -75.03 -37.98 61.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' LYS . 3.1 m-20 -57.4 -41.0 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 HD23 ' A' ' 59' ' ' LEU . 35.7 m -92.42 167.39 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.52 111.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.7 t -129.39 119.56 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -109.22 109.24 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 76' ' ' VAL . 78.3 mt -100.56 118.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -122.38 173.48 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -55.66 -55.68 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -124.59 39.17 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -161.66 137.4 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.799 HD22 HD11 ' A' ' 93' ' ' LEU . 22.4 tp -136.75 146.14 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.66 ' H ' HD12 ' A' ' 55' ' ' LEU . 15.9 ttm180 -139.72 139.03 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -144.12 131.03 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.76 -163.17 34.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.44 HD23 HG12 ' A' ' 46' ' ' VAL . 4.5 mt -115.7 141.72 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -46.67 141.18 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 75.72 -48.44 2.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.42 162.4 74.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.69 45.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.692 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.05 -41.96 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.531 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 79.9 t -117.57 107.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -141.28 106.4 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.23 155.08 18.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.14 126.39 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.47 142.12 55.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -56.47 -39.47 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 10.0 t-20 -140.28 174.58 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.4 148.77 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.582 HG21 HD22 ' A' ' 93' ' ' LEU . 19.5 m -141.13 122.41 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.2 95.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.431 HG23 HG22 ' A' ' 50' ' ' ILE . 6.6 p -71.67 -39.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.35 -24.39 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -103.47 -40.15 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -46.98 148.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -162.46 149.06 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.48 ' CB ' HG22 ' A' ' 91' ' ' VAL . 55.2 p-90 -121.4 169.94 10.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.3 pp -158.65 163.46 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 41' ' ' LEU . 43.2 mt -96.6 124.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -99.6 124.68 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.2 m-20 43.3 41.72 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 33.84 34.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.5 ptpt -134.95 -34.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 87' ' ' LYS . 29.9 t -119.21 155.66 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.441 ' N ' HG12 ' A' ' 88' ' ' VAL . 55.5 t -121.62 101.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.6 p -89.91 144.03 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.48 HG22 ' CB ' ' A' ' 81' ' ' TRP . 59.8 t -134.06 112.83 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -83.54 118.08 23.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.799 HD11 HD22 ' A' ' 55' ' ' LEU . 36.6 mt -111.08 119.53 39.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -84.51 125.12 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -82.22 115.88 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.62 -41.96 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 44.3 m-80 -115.33 79.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' LEU . 35.6 mttm -43.31 -28.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.6 mmt -83.76 24.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' ASN . 3.3 tp10 -131.05 143.21 50.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.504 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 73.9 m95 -97.6 168.22 10.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.452 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.8 m0 -124.29 138.89 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -87.74 -18.72 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -174.2 165.68 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.688 ' HG ' HG13 ' A' ' 106' ' ' VAL . 30.3 tp -70.13 -56.33 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.688 HG13 ' HG ' ' A' ' 105' ' ' LEU . 17.2 m -136.0 152.82 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.2 p -45.96 -31.32 2.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -68.3 -40.32 81.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.46 ' H ' HG23 ' A' ' 106' ' ' VAL . 3.8 m-20 -64.37 160.5 50.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.01 22.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -101.0 141.44 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.1 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.98 -145.82 15.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.57 120.61 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.15 114.4 21.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' CD1' ' A' ' 20' ' ' TYR . 2.2 mt -113.81 153.43 46.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.49 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -93.16 -32.48 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.1 p90 -172.36 160.05 4.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -119.0 137.14 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -142.93 143.93 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.8 p -121.9 154.93 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 15.7 pt20 -131.34 141.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.0 p -137.28 179.8 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 17.1 mt -82.26 23.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.79 -44.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -168.67 173.7 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.1 138.56 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.24 146.11 39.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.28 137.99 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.11 112.5 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.94 105.77 54.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.1 Cg_endo -69.69 122.8 9.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 37' ' ' VAL . 29.4 m-85 -109.36 113.92 27.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -62.05 81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 41' ' ' LEU . 26.9 m -129.73 146.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -105.55 26.63 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.21 -178.53 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -89.54 125.92 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 83' ' ' ILE . 87.6 mt -86.37 134.08 33.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.2 mmmt -101.16 144.28 30.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.99 -34.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -74.5 -39.22 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' LYS . 1.3 m-20 -57.35 -41.13 79.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.82 HG12 HD23 ' A' ' 59' ' ' LEU . 34.5 m -93.78 157.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -127.41 109.3 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.57 109.66 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.68 113.3 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.579 HG22 HG23 ' A' ' 76' ' ' VAL . 79.6 mt -104.67 123.23 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -124.4 173.53 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -57.15 -56.24 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.21 37.86 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.7 t60 -163.35 144.48 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 93' ' ' LEU . 18.0 tp -141.63 147.02 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -139.97 141.64 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -145.98 140.69 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.43 -151.43 19.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.82 HD23 HG12 ' A' ' 46' ' ' VAL . 6.3 mt -133.03 142.64 48.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -48.15 141.66 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -51.37 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.31 161.94 76.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.54 40.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.3 6.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG12 ' HE2' ' A' ' 20' ' ' TYR . 51.8 t -59.39 -44.91 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.16 122.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 1.5 t0 -157.7 112.71 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.86 151.35 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.68 130.62 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' HIS . 31.2 mt -66.5 138.24 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -50.63 -42.35 56.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 19.2 t-20 -142.99 166.42 24.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 72' ' ' ASN . 9.4 mt-10 -60.77 151.59 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.55 HG21 HD22 ' A' ' 93' ' ' LEU . 23.3 m -145.93 122.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -44.59 95.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.579 HG23 HG22 ' A' ' 50' ' ' ILE . 7.5 p -73.9 -35.79 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.41 -25.99 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.82 -39.27 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -48.92 153.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -166.11 172.4 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.465 ' CB ' HG22 ' A' ' 91' ' ' VAL . 44.1 p-90 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 ' OE2' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -163.25 146.97 10.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 41' ' ' LEU . 48.3 mt -83.9 125.26 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.635 ' OE2' HD11 ' A' ' 82' ' ' LEU . 26.0 mm-40 -100.55 128.95 46.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.422 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.0 OUTLIER 44.65 36.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.49 31.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 88' ' ' VAL . 12.4 ptmt -134.39 -32.64 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.581 HG23 ' HG3' ' A' ' 87' ' ' LYS . 53.9 t -118.85 153.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.418 ' N ' HG12 ' A' ' 88' ' ' VAL . 60.4 t -120.26 100.2 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -88.36 142.06 28.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' A' ' 81' ' ' TRP . 55.1 t -134.92 114.89 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 5.0 t60 -86.49 119.73 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.802 HD11 HD22 ' A' ' 55' ' ' LEU . 52.8 mt -111.19 119.43 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -86.08 124.54 32.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HD3' ' CD1' ' A' ' 102' ' ' TRP . 66.8 mttt -81.29 109.39 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.7 mm -35.22 -45.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -114.88 85.98 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 54.2 mttt -45.71 -23.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.7 mmt -87.48 30.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.2 tp10 -136.15 145.41 45.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.563 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 64.2 m95 -101.62 163.69 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.5 m0 -118.85 140.57 49.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -87.89 -20.38 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -174.84 166.19 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.598 ' HG ' HG13 ' A' ' 106' ' ' VAL . 50.7 tp -67.9 -63.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.598 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.6 m -133.01 145.36 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' VAL . 76.4 p -36.05 -34.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 106' ' ' VAL . 4.1 t -61.93 -49.23 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . 18.5 m-20 -60.44 158.94 26.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.27 22.04 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -101.85 142.11 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.7 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.9 -142.74 10.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.89 120.12 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.0 106.68 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.65 154.43 41.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -21.67 33.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.39 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -90.13 -33.63 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.607 ' CD1' HD12 ' A' ' 17' ' ' LEU . 6.5 p90 -175.14 154.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -115.33 137.19 52.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.694 ' CG ' HD12 ' A' ' 105' ' ' LEU . 19.2 p-90 -143.21 145.11 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -121.93 159.06 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.863 HE22 HD11 ' A' ' 112' ' ' ILE . 6.7 pt20 -132.47 134.38 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ALA . 46.6 p -133.8 146.97 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD21 ' NE1' ' A' ' 101' ' ' TRP . 18.7 mt -40.19 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB3' ' OE2' ' A' ' 28' ' ' GLU . . . -83.17 -67.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE2' ' HB3' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -146.27 -177.93 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.477 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 2.5 tt -119.2 127.92 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.47 146.36 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 32' ' ' ALA . 2.9 tp -137.83 145.97 42.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.626 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -141.76 114.56 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.865 HG11 HG11 ' A' ' 65' ' ' VAL . 97.2 t -110.36 96.79 28.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 123.66 10.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -107.73 142.91 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -82.76 54.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.8 HG11 HD21 ' A' ' 41' ' ' LEU . 19.8 m -100.17 152.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -112.6 18.57 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.4 -178.34 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HE ' ' N ' ' A' ' 86' ' ' GLY . 6.4 tpt180 -85.76 114.07 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.8 HD21 HG11 ' A' ' 37' ' ' VAL . 75.4 mt -67.96 138.29 55.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' LYS . 29.8 mmtt -111.09 140.17 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.46 -27.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' LYS . 18.1 pttp -81.79 -43.06 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.3 m-20 -57.46 -38.65 74.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.663 HG12 HD23 ' A' ' 59' ' ' LEU . 25.5 m -91.25 160.01 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -132.05 103.24 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG22 HG13 ' A' ' 57' ' ' VAL . 76.7 t -124.15 115.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -109.03 114.31 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.616 HG21 ' HB3' ' A' ' 79' ' ' SER . 82.5 mt -106.92 118.63 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -120.96 -175.6 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -64.54 -51.5 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -129.17 36.75 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -159.72 138.34 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 HD11 ' A' ' 93' ' ' LEU . 10.7 tp -140.21 145.76 37.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -140.14 150.77 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HG22 ' A' ' 48' ' ' VAL . 59.1 t -153.21 143.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.12 -157.46 29.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 46' ' ' VAL . 10.5 mt -128.7 135.41 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' LEU . 21.1 tptt -35.22 137.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -55.47 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.9 161.62 28.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 66' ' ' VAL . 10.9 p -61.04 -29.87 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.049 HG23 HG13 ' A' ' 65' ' ' VAL . 27.4 t -127.42 119.68 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -153.19 112.99 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.53 161.64 26.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 107' ' ' THR . 18.5 tt0 -75.61 124.38 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.421 HD13 ' CG2' ' A' ' 74' ' ' VAL . 52.2 mt -55.33 131.02 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -45.04 -38.59 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -145.08 171.32 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.56 139.88 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 74' ' ' VAL . 21.9 m -133.54 127.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -47.55 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' VAL . 3.7 p -67.7 -40.91 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.16 -21.23 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -105.33 -34.41 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.616 ' HB3' HG21 ' A' ' 50' ' ' ILE . 3.8 m -50.76 147.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -165.23 160.45 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.519 ' HB3' HG13 ' A' ' 91' ' ' VAL . 59.7 p-90 -138.26 171.2 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 83' ' ' ILE . 2.3 pp -159.94 160.05 33.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.783 HD13 ' O ' ' A' ' 41' ' ' LEU . 63.8 mt -85.89 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE2' HG21 ' A' ' 90' ' ' THR . 10.3 mt-10 -116.98 116.76 28.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.467 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 7.6 t70 59.73 25.04 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 48.37 17.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 1.5 ptpt -129.97 -11.71 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 89' ' ' VAL . 41.5 t -131.57 159.33 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.51 ' N ' HG12 ' A' ' 88' ' ' VAL . 50.8 t -128.91 105.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.455 HG21 ' OE2' ' A' ' 84' ' ' GLU . 44.9 p -95.01 131.78 40.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.534 ' HB ' HD23 ' A' ' 31' ' ' LEU . 23.3 t -121.59 122.4 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.9 t60 -94.63 114.65 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 HD22 ' A' ' 55' ' ' LEU . 63.9 mt -102.9 115.62 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -83.34 123.82 30.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.22 122.37 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.6 mm -44.18 -37.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -123.69 121.71 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -70.99 -10.03 59.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 30.5 mmt -103.74 35.33 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.16 146.26 48.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.517 ' NE1' HD21 ' A' ' 26' ' ' LEU . 55.7 m95 -109.84 160.69 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.496 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 9.7 m0 -118.38 133.9 55.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.03 -12.76 21.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.458 HH21 HG22 ' A' ' 107' ' ' THR . 32.3 ptt180 -168.82 126.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.785 HD23 HG13 ' A' ' 106' ' ' VAL . 6.5 tt -45.22 -49.91 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.785 HG13 HD23 ' A' ' 105' ' ' LEU . 3.2 m -145.62 163.67 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 69' ' ' GLU . 40.0 p -58.74 -12.6 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.7 m -100.48 35.4 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -141.17 152.05 63.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' O ' ' OD1' ' A' ' 109' ' ' ASP . 53.9 Cg_endo -69.81 138.96 38.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -69.58 158.61 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.863 HD11 HE22 ' A' ' 24' ' ' GLN . 9.5 pt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.458 ' O ' HD12 ' A' ' 112' ' ' ILE . 35.5 m-80 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.677 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -90.72 -137.16 6.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.83 125.01 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -87.76 98.9 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -102.59 153.9 37.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -19.48 36.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -92.22 -31.92 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.719 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.0 p90 -174.99 159.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -118.69 136.62 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -136.9 152.06 49.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.4 p -123.05 164.38 18.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 16.4 pt20 -143.95 138.41 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.2 p -136.59 179.95 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.543 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.1 mt -82.76 23.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.77 -43.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -168.64 173.39 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.2 tt -113.3 142.47 45.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.02 144.33 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 32' ' ' ALA . 5.3 tp -137.5 143.4 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.404 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -140.63 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.044 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.96 102.73 37.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.7 130.96 20.32 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.403 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB3' HG13 ' A' ' 37' ' ' VAL . 38.6 m-85 -114.58 133.79 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.49 48.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 HD21 ' A' ' 41' ' ' LEU . 33.4 m -95.64 147.53 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -109.63 26.23 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -148.36 -177.18 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -90.19 122.93 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.506 HD21 HG11 ' A' ' 37' ' ' VAL . 92.8 mt -78.74 146.21 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 45' ' ' ASP . 38.0 mmtt -118.85 141.05 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . -36.98 -40.55 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' LYS . 8.8 t0 -58.63 -40.29 82.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.806 HG12 HD23 ' A' ' 59' ' ' LEU . 34.3 m -95.72 163.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -133.35 104.7 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.4 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 96.5 t -122.65 116.96 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -111.58 109.23 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.421 HG22 HG23 ' A' ' 76' ' ' VAL . 54.7 mt -99.54 126.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -126.3 176.25 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -56.89 -58.18 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -122.04 34.67 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -156.69 142.24 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 93' ' ' LEU . 28.2 tp -142.29 141.32 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -135.32 136.8 41.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.71 143.49 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.24 -163.77 35.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 46' ' ' VAL . 11.9 mt -117.26 146.3 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 6.6 tmtt? -47.79 133.57 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 80.97 -57.31 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -63.49 162.25 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.36 37.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.78 4.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.66 -43.05 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.488 HG22 ' CE2' ' A' ' 20' ' ' TYR . 46.3 t -110.87 116.49 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -155.04 106.91 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.88 146.34 6.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.72 127.17 24.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.3 148.4 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.34 -44.94 84.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -138.45 177.89 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.67 141.15 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.736 HG21 HD22 ' A' ' 93' ' ' LEU . 22.7 m -134.94 125.97 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.73 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -71.95 -32.07 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.64 -25.98 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.4 -39.13 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -43.5 148.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -165.64 154.36 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.43 ' HB3' HG13 ' A' ' 91' ' ' VAL . 52.4 p-90 -125.91 166.84 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.8 pp -153.02 163.43 39.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 82' ' ' LEU . 69.5 mt -95.31 129.73 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -105.15 120.82 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' LYS . 4.1 m-20 46.74 37.46 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 38.53 25.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.521 ' HG3' HG23 ' A' ' 88' ' ' VAL . 8.9 ptpt -128.14 -27.69 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.521 HG23 ' HG3' ' A' ' 87' ' ' LYS . 57.4 t -124.08 159.59 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.52 ' N ' HG12 ' A' ' 88' ' ' VAL . 56.0 t -127.39 102.6 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -90.95 142.09 28.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 81' ' ' TRP . 45.1 t -130.51 113.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 5.4 t60 -85.17 122.97 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.779 HD11 HD22 ' A' ' 55' ' ' LEU . 58.5 mt -116.16 119.92 37.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -83.68 121.45 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -76.72 115.9 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.23 -41.59 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 100' ' ' GLU . 49.2 m-20 -116.47 81.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -43.22 -28.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.05 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 4.0 tp10 -133.95 145.25 49.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.543 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 70.6 m95 -101.99 167.8 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.489 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 8.7 m0 -122.49 140.86 52.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -93.0 -15.47 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -170.62 169.88 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HG ' HG13 ' A' ' 106' ' ' VAL . 51.6 tp -79.1 -50.17 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.516 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.5 m -136.8 -178.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.7 p -82.66 28.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -131.28 -43.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.3 154.39 87.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 139.25 39.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.66 162.13 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 14' ' ' GLY . 7.6 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.65 179.94 27.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.31 119.99 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -78.12 107.79 10.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.18 153.23 41.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.95 31.64 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.44 -34.2 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.619 ' CD1' HD12 ' A' ' 17' ' ' LEU . 11.2 p90 -171.96 157.32 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -118.81 137.01 53.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -141.51 151.51 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -125.38 168.46 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 102' ' ' TRP . 21.7 pt20 -143.14 134.54 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 27' ' ' ALA . 52.6 p -135.04 144.52 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 101' ' ' TRP . 14.3 mt -44.0 -22.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -84.42 -57.43 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.45 174.65 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.743 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -111.54 162.48 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.743 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.7 t70 -145.8 144.88 30.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.453 HD22 HD21 ' A' ' 105' ' ' LEU . 5.3 tp -135.8 132.27 36.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -123.68 118.24 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.543 ' CG1' ' CZ ' ' A' ' 35' ' ' PHE . 82.8 t -111.33 98.56 40.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.89 9.55 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CE1' HD21 ' A' ' 59' ' ' LEU . 86.6 m-85 -113.67 130.49 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.14 62.32 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 41' ' ' LEU . 30.4 m -94.47 143.76 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.55 19.86 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -148.91 179.43 7.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -82.62 125.69 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.735 HD21 HG11 ' A' ' 37' ' ' VAL . 80.1 mt -81.1 133.45 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' ASP . 19.0 mttt -111.94 142.24 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' HD11 ' A' ' 83' ' ' ILE . . . -39.0 -40.74 1.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.45 -34.12 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LYS . 77.6 m-20 -61.01 -41.56 96.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG23 ' CH2' ' A' ' 81' ' ' TRP . 32.7 m -97.25 147.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.2 t -117.64 99.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 57' ' ' VAL . 25.5 t -114.05 105.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.08 124.59 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.61 HG21 ' CB ' ' A' ' 79' ' ' SER . 76.4 mt -116.67 127.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -127.76 -179.48 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 8.0 tpp85 -51.41 -57.9 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' LEU . 10.3 ttt180 -129.13 20.65 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -131.4 133.72 45.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 93' ' ' LEU . 38.7 tp -134.48 140.25 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -139.25 131.78 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 48' ' ' VAL . 97.7 t -134.28 143.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.3 173.96 35.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -85.19 157.76 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -57.18 125.16 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.65 -51.35 4.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.83 162.23 12.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 142.6 48.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 122.66 9.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 t -67.73 -25.59 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.29 109.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -140.53 111.43 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.42 24.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 107' ' ' THR . 33.3 tt0 -72.2 116.07 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.6 mt -43.76 161.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.66 -43.35 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.443 ' CG ' ' OE2' ' A' ' 100' ' ' GLU . 36.3 t30 -139.32 170.36 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 10.8 mt-10 -67.63 134.92 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 74' ' ' VAL . 22.5 m -130.64 121.85 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -42.45 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.2 p -66.22 -40.62 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.45 -20.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -110.3 -37.96 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.61 ' CB ' HG21 ' A' ' 50' ' ' ILE . 35.9 m -40.83 150.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.7 p -168.38 179.93 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.552 ' CH2' HG23 ' A' ' 46' ' ' VAL . 46.5 p-90 -152.42 171.24 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 82' ' ' LEU . 3.6 pp -158.27 142.81 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.58 HG21 ' HB2' ' A' ' 41' ' ' LEU . 14.4 mt -80.6 125.02 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 7.4 mt-10 -102.09 144.98 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 43.5 t0 40.87 25.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 49.26 16.69 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 2.3 ptpt -127.56 -21.37 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 89' ' ' VAL . 36.3 t -120.12 159.46 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.512 ' N ' HG12 ' A' ' 88' ' ' VAL . 57.0 t -130.44 97.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.8 p -85.31 135.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.4 118.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.64 123.31 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 55' ' ' LEU . 22.2 mt -113.93 118.75 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -83.37 122.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ILE . 81.0 mttt -80.86 114.06 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' LYS . 28.6 mm -36.36 -42.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -119.81 122.93 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.68 -5.62 31.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -109.65 35.2 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' CG ' ' A' ' 72' ' ' ASN . 15.7 tt0 -132.46 138.94 47.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.614 ' CD1' HD21 ' A' ' 26' ' ' LEU . 54.1 m95 -107.34 160.05 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.59 ' CE3' HD13 ' A' ' 29' ' ' LEU . 11.9 m0 -115.45 150.36 36.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -107.56 -11.2 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -174.22 150.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.635 ' HG ' HG13 ' A' ' 106' ' ' VAL . 56.4 tp -56.93 -63.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG13 ' HG ' ' A' ' 105' ' ' LEU . 18.4 m -133.52 158.35 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 69' ' ' GLU . 40.0 p -52.3 -18.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -95.31 31.11 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -137.64 157.01 74.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 145.92 58.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.98 164.94 19.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 15.2 m-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.87 0.366 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.42 -151.49 28.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.38 120.73 8.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.89 94.41 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.749 HD12 ' CD1' ' A' ' 20' ' ' TYR . 2.2 mt -93.99 153.58 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -95.16 -30.67 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.749 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.4 p90 -173.18 161.02 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.67 133.77 55.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -137.9 147.5 44.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.7 p -124.05 166.61 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.78 135.96 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ALA . 73.0 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 14.6 mt -36.45 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.15 -64.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -151.33 178.88 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 30' ' ' ASP . 2.0 tt -110.91 162.67 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.754 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -141.39 148.72 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 32' ' ' ALA . 3.6 tp -141.68 146.9 36.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.619 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.04 115.03 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -111.83 103.26 55.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.534 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo -69.73 121.9 8.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 37' ' ' VAL . 40.5 m-85 -108.98 114.39 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -61.06 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.4 m -131.44 144.95 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -104.51 24.68 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -149.18 -177.72 5.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -86.7 123.52 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.62 137.6 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 134.5 38.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.39 -36.59 4.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -77.27 -35.82 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.68 -42.52 88.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG12 HD23 ' A' ' 59' ' ' LEU . 33.4 m -91.41 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.89 111.88 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 57' ' ' VAL . 53.4 t -127.63 93.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -91.4 119.21 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.59 HG22 HG23 ' A' ' 76' ' ' VAL . 71.8 mt -111.16 122.23 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -122.43 175.17 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -57.81 -58.8 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -119.61 37.5 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.406 ' N ' HD12 ' A' ' 70' ' ' LEU . 45.7 t-80 -161.4 145.68 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 93' ' ' LEU . 23.2 tp -145.11 142.12 29.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -140.34 136.63 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.514 HG13 HG22 ' A' ' 48' ' ' VAL . 88.6 t -141.31 141.06 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.74 -143.78 8.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.567 HD23 HG12 ' A' ' 46' ' ' VAL . 11.5 mt -132.25 152.48 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -57.87 135.62 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 -46.23 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.63 162.99 71.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.91 39.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.17 9.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG12 ' CE2' ' A' ' 20' ' ' TYR . 60.3 t -64.14 -41.32 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 78.7 t -118.67 115.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.89 110.85 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.27 155.65 13.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -66.1 134.99 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 54' ' ' HIS . 27.2 mt -70.57 135.56 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 8.7 t80 -44.72 -44.77 9.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -138.77 175.49 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.8 150.57 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.608 HG21 HD22 ' A' ' 93' ' ' LEU . 33.1 m -143.35 121.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -42.44 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.59 HG23 HG22 ' A' ' 50' ' ' ILE . 9.5 p -69.5 -33.81 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -59.31 -24.72 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -104.34 -39.32 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -42.92 147.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -166.7 153.58 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.475 ' CB ' HG22 ' A' ' 91' ' ' VAL . 29.9 p-90 -122.95 173.09 8.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 82' ' ' LEU . 2.2 pp -163.84 142.54 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 68.5 mt -80.12 126.19 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -102.26 130.58 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' LYS . 1.6 m-20 43.74 38.51 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.432 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 36.39 31.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.9 ptpt -133.74 -33.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 87' ' ' LYS . 77.7 t -116.74 159.37 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.53 ' N ' HG12 ' A' ' 88' ' ' VAL . 76.5 t -127.44 98.4 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -86.46 141.47 29.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 81' ' ' TRP . 44.4 t -131.99 112.54 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 127.21 33.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.762 HD11 HD22 ' A' ' 55' ' ' LEU . 68.8 mt -118.06 118.39 31.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 95' ' ' LYS . 8.3 tp10 -83.32 124.86 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 96' ' ' ILE . 72.9 mttt -81.75 109.91 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 95' ' ' LYS . 22.9 mm -33.75 -44.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -117.32 120.14 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -70.4 -22.82 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.4 mmt -91.47 30.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -133.49 144.56 49.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.534 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -106.43 174.2 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 7.5 m0 -126.92 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -95.06 -16.77 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -174.78 163.91 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.424 ' HG ' HG13 ' A' ' 106' ' ' VAL . 49.3 tp -70.17 -51.63 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.424 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.3 m -137.76 146.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -43.63 -42.19 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -59.63 -35.76 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 106' ' ' VAL . 1.0 OUTLIER -70.15 159.83 82.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.82 154.12 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' ASN . 8.5 pt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.54 -150.6 11.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.16 119.99 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.74 112.07 18.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.663 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -113.22 152.43 45.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.92 35.35 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -91.21 -32.18 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.663 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.0 p90 -174.81 160.34 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -117.35 133.28 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.754 ' CG ' HD12 ' A' ' 105' ' ' LEU . 14.3 p-90 -140.97 138.81 34.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -117.84 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.689 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.7 pt20 -140.38 131.06 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.7 p -132.54 145.94 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.2 mt -35.12 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -74.22 -68.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 0.8 OUTLIER -150.99 176.93 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.5 tt -113.85 139.17 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.01 153.16 32.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 91' ' ' VAL . 3.5 tp -142.73 144.78 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.45 106.56 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.418 HG23 HD11 ' A' ' 31' ' ' LEU . 94.7 t -102.16 99.4 12.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.615 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.9 Cg_endo -69.79 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.48 ' HB3' HG13 ' A' ' 37' ' ' VAL . 54.0 m-85 -117.94 134.84 54.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -76.61 49.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 35' ' ' PHE . 27.6 m -94.84 134.61 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -97.24 20.38 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.84 -179.84 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -83.88 132.52 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.655 ' O ' HD13 ' A' ' 83' ' ' ILE . 71.4 mt -88.05 135.13 33.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.8 mttt -106.09 144.93 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.46 -34.56 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -31.71 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.5 m-20 -63.79 -40.34 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.626 HG12 HD23 ' A' ' 59' ' ' LEU . 34.5 m -94.99 160.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.5 t -129.96 107.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 57' ' ' VAL . 97.5 t -126.32 111.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.22 115.58 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.4 HD11 HG13 ' A' ' 91' ' ' VAL . 64.1 mt -109.37 120.62 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -122.88 179.79 4.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -57.86 -54.36 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -128.2 37.91 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.2 t-80 -157.77 129.92 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.772 HD22 HD11 ' A' ' 93' ' ' LEU . 28.2 tp -128.4 143.39 50.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.621 ' H ' HD12 ' A' ' 55' ' ' LEU . 34.8 ttt180 -140.23 141.23 35.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 48' ' ' VAL . 93.0 t -149.44 141.9 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.78 -158.81 31.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 HG12 ' A' ' 46' ' ' VAL . 4.7 mt -122.02 143.33 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -46.72 140.34 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.68 -50.1 2.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -74.16 161.38 78.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 143.31 50.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 120.62 7.38 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.741 2.294 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.6 -39.67 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.56 122.81 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -159.56 116.6 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.85 159.87 19.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 107' ' ' THR . 14.9 tt0 -67.4 117.28 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 54' ' ' HIS . 17.9 mt -52.68 134.83 35.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 15.5 t80 -43.44 -43.0 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -143.79 175.66 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.43 155.4 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 74' ' ' VAL . 21.1 m -151.54 121.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -44.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.16 -37.17 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.11 -24.93 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.19 -39.49 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -48.03 154.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -166.96 174.83 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.456 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -143.95 171.59 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.7 pp -158.38 164.07 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 41' ' ' LEU . 63.9 mt -95.48 130.53 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -106.52 115.6 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . 18.5 m-20 51.23 38.5 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.65 28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.792 ' HG3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -131.11 -29.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 87' ' ' LYS . 66.4 t -121.54 159.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.527 ' N ' HG12 ' A' ' 88' ' ' VAL . 71.5 t -127.5 101.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 p -88.45 140.03 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.464 ' HB ' HD23 ' A' ' 31' ' ' LEU . 47.6 t -133.03 113.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t60 -84.7 127.53 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.772 HD11 HD22 ' A' ' 55' ' ' LEU . 63.0 mt -116.09 115.42 26.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.14 128.51 34.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.9 mttt -87.49 111.0 20.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 95' ' ' LYS . 36.7 mm -33.24 -40.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -120.65 117.89 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.56 -15.89 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mmt -96.99 31.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.66 140.19 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.529 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 56.4 m95 -104.15 168.45 9.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.585 ' CE3' HD13 ' A' ' 29' ' ' LEU . 7.9 m0 -125.34 133.39 52.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -84.13 -21.83 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.55 146.94 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.754 HD12 ' CG ' ' A' ' 22' ' ' TRP . 5.3 tt -47.84 -58.89 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.672 HG13 HD23 ' A' ' 105' ' ' LEU . 5.3 m -144.15 158.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 69' ' ' GLU . 67.4 p -45.86 -24.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 t -90.51 38.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.77 161.57 42.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.68 58.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -89.21 142.96 27.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.689 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.3 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -112.02 -145.99 10.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.55 119.99 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -105.4 152.86 40.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.565 0.697 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -19.41 36.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -92.85 -30.23 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 17' ' ' LEU . 6.1 p90 -174.01 165.91 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -122.6 129.3 51.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 18.3 p-90 -137.6 137.56 38.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -117.83 157.86 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.1 pt20 -134.25 134.95 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' ALA . 49.4 p -134.01 144.66 48.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 11.9 mt -36.71 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.43 -68.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -148.21 174.53 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -112.56 132.59 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -110.75 148.01 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 32' ' ' ALA . 3.1 tp -137.03 145.44 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.692 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -140.88 107.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.009 HG11 HG11 ' A' ' 65' ' ' VAL . 92.4 t -104.14 101.09 24.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.748 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.57 12.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' VAL . 43.7 m-85 -114.72 116.91 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -63.65 76.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.605 HG11 HD21 ' A' ' 41' ' ' LEU . 35.5 m -118.62 150.05 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -110.55 23.96 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -147.78 -178.21 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -89.78 114.0 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD21 HG11 ' A' ' 37' ' ' VAL . 88.2 mt -71.27 148.28 47.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASP . 10.8 mmtp -117.23 141.99 47.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.41 -35.74 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -74.83 -38.78 61.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LYS . 79.6 m-20 -57.71 -40.57 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.806 HG12 HD23 ' A' ' 59' ' ' LEU . 30.1 m -92.08 159.04 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.2 t -128.25 100.99 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.58 HG22 HG13 ' A' ' 57' ' ' VAL . 91.7 t -118.79 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.74 108.66 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.6 mt -100.07 126.02 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.86 175.53 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -59.33 -55.26 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -123.18 36.85 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.511 ' N ' HD12 ' A' ' 70' ' ' LEU . 41.7 t-80 -161.74 146.28 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 93' ' ' LEU . 18.9 tp -145.9 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -140.21 137.28 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG13 HG22 ' A' ' 48' ' ' VAL . 80.2 t -140.49 144.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.01 -156.55 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 46' ' ' VAL . 9.3 mt -132.36 138.51 47.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -39.78 137.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -57.92 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -63.9 161.78 35.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.92 52.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.8 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.009 HG11 HG11 ' A' ' 33' ' ' VAL . 12.6 p -57.3 -29.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.937 HG23 HG13 ' A' ' 65' ' ' VAL . 46.9 t -133.7 123.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -161.03 111.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.4 159.19 21.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.49 132.27 52.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 54' ' ' HIS . 37.9 mt -70.31 139.19 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -49.88 -41.51 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.7 -174.99 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.94 145.43 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.623 HG21 HD22 ' A' ' 93' ' ' LEU . 20.9 m -139.04 120.06 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -42.39 97.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 p -72.65 -36.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.44 -23.64 62.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -105.71 -39.23 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 m -48.95 159.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -173.56 172.44 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.425 ' CB ' HG22 ' A' ' 91' ' ' VAL . 50.3 p-90 -142.3 170.62 15.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.629 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.5 pp -158.79 156.44 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.503 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 96.8 mt -89.43 127.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HG2' HD11 ' A' ' 82' ' ' LEU . 1.9 mm-40 -104.77 121.73 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 46.37 33.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.97 28.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.723 ' HG3' HG23 ' A' ' 88' ' ' VAL . 18.9 ptmt -130.09 -25.64 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.723 HG23 ' HG3' ' A' ' 87' ' ' LYS . 17.3 t -129.58 149.36 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.89 99.57 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.6 p -85.41 137.71 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' CB ' ' A' ' 81' ' ' TRP . 58.1 t -131.18 116.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 3.1 t60 -88.96 126.19 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.623 HD22 HG21 ' A' ' 74' ' ' VAL . 29.3 mt -115.77 117.3 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.29 120.21 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' ILE . 69.1 mttt -76.52 110.79 11.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LYS . 25.1 mm -33.76 -37.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 95' ' ' LYS . 10.3 t-20 -124.51 120.83 33.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' LEU . 42.3 mmtt -70.48 -18.0 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 19.2 mmt -96.21 32.31 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -134.35 144.18 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 49.2 m95 -103.58 170.55 7.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.49 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.0 m95 -128.69 137.68 51.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.0 -19.58 23.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 20.2 ptt-85 -174.31 163.71 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 tp -68.95 -54.61 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.491 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.4 m -131.75 179.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.1 p -83.85 28.17 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -122.4 -50.14 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.491 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -59.51 162.73 7.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.39 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.82 154.08 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.447 HD11 ' NE2' ' A' ' 24' ' ' GLN . 8.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.22 -141.34 8.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.69 119.98 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -83.89 108.73 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.8 mt -108.12 152.37 41.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.52 36.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -92.24 -32.22 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.697 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.8 p90 -171.84 159.8 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -118.57 134.89 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -141.5 142.61 33.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -117.73 173.73 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.7 pt20 -154.36 136.33 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.5 p -133.93 -175.32 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.705 HD21 ' NE1' ' A' ' 101' ' ' TRP . 23.8 mt -81.82 26.11 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.96 -52.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -161.45 175.36 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.53 133.86 55.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.84 136.01 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 HD11 HG23 ' A' ' 33' ' ' VAL . 3.0 tp -131.34 133.8 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.49 111.66 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.717 HG11 HG11 ' A' ' 65' ' ' VAL . 91.2 t -104.96 102.32 35.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.69 121.85 8.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -108.8 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -65.53 76.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.89 146.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -105.53 24.59 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -145.87 -178.19 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HD3' ' NZ ' ' A' ' 42' ' ' LYS . 4.6 ttt85 -90.99 126.31 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.5 mt -80.76 148.49 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.424 ' NZ ' ' HD3' ' A' ' 40' ' ' ARG . 15.6 mmtm -110.77 148.8 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.23 34.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -81.92 -31.27 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -40.91 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.654 HG12 ' CD2' ' A' ' 59' ' ' LEU . 27.4 m -92.16 150.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.32 104.7 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.83 106.62 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -102.77 114.12 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.0 mt -106.5 115.51 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -117.09 173.24 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -60.46 -52.22 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -123.07 37.75 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.8 t60 -165.34 144.79 6.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 93' ' ' LEU . 30.6 tp -139.21 145.87 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' H ' HD12 ' A' ' 55' ' ' LEU . 62.0 ttt180 -140.22 141.75 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -149.1 143.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.05 -155.52 26.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.654 ' CD2' HG12 ' A' ' 46' ' ' VAL . 20.3 mt -128.88 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -48.35 138.94 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.88 -57.37 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.33 162.05 36.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.44 54.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.767 HG13 HG23 ' A' ' 66' ' ' VAL . 11.9 p -50.65 -34.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG23 HG13 ' A' ' 65' ' ' VAL . 62.1 t -130.55 117.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -154.05 110.68 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.07 156.5 15.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.16 131.04 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 54' ' ' HIS . 30.9 mt -69.81 133.54 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -44.32 -43.31 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -141.07 170.64 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.64 147.09 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.74 HG21 HD22 ' A' ' 93' ' ' LEU . 17.9 m -140.3 124.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.55 95.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 -39.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.78 -23.29 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.51 -40.03 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -49.2 149.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -167.83 147.56 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CB ' HG22 ' A' ' 91' ' ' VAL . 36.0 p-90 -115.87 171.65 7.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.522 HD11 ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp -160.13 141.51 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 97.1 mt -76.85 127.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' OE2' HD11 ' A' ' 82' ' ' LEU . 24.6 mm-40 -105.09 123.61 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.428 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 38.6 m-20 45.69 34.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.16 28.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.6 ptmt -129.61 -28.66 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.586 HG23 ' HG3' ' A' ' 87' ' ' LYS . 34.4 t -124.76 156.56 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.454 ' N ' HG12 ' A' ' 88' ' ' VAL . 74.4 t -123.34 97.35 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -85.16 135.68 33.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 81' ' ' TRP . 44.0 t -128.01 111.44 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.06 117.77 23.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.873 HD11 HD22 ' A' ' 55' ' ' LEU . 46.9 mt -110.13 117.33 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -83.51 121.58 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -76.79 117.2 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -45.96 -38.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' GLU . 9.5 m120 -118.93 80.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -42.48 -27.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.9 mmt -86.47 29.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 2.5 tp10 -137.27 146.94 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.705 ' NE1' HD21 ' A' ' 26' ' ' LEU . 82.5 m95 -100.54 171.73 7.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.3 m0 -124.44 143.26 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.91 -23.28 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -172.34 170.72 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.22 -46.38 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.07 164.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.7 p -54.32 -32.34 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.9 p -82.22 40.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -146.88 159.59 42.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.728 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.74 57.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.61 141.99 28.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.9 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.26 -148.53 11.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.49 120.09 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.56 105.33 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -106.44 152.65 40.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.862 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.01 35.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 -32.6 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.0 p90 -175.16 157.72 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -113.68 133.67 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 22' ' ' TRP . 18.1 p-90 -142.38 143.58 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -124.27 161.77 25.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.569 ' NE2' HD11 ' A' ' 112' ' ' ILE . 6.9 pt20 -134.62 137.28 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . 67.8 p -134.31 144.25 48.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.6 mt -38.58 -26.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -81.75 -66.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.19 174.3 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.3 tt -111.75 136.32 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.17 151.9 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD23 ' HB ' ' A' ' 91' ' ' VAL . 2.9 tp -142.65 144.34 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -138.78 113.1 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.804 HG11 HG11 ' A' ' 65' ' ' VAL . 57.6 t -110.63 102.14 51.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.4 12.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.3 m-85 -114.13 114.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -61.86 79.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.932 HG11 HD21 ' A' ' 41' ' ' LEU . 34.5 m -120.63 152.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -105.99 13.27 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -146.79 -175.48 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -82.66 121.5 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.932 HD21 HG11 ' A' ' 37' ' ' VAL . 71.9 mt -68.9 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.0 mmmt -95.97 136.01 36.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.35 -38.17 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -69.37 -40.97 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 5.6 m-20 -58.07 -38.89 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 59' ' ' LEU . 26.8 m -94.48 153.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.621 HG21 ' HE3' ' A' ' 60' ' ' LYS . 87.7 t -126.03 95.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 57' ' ' VAL . 79.6 t -114.64 110.18 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -108.71 114.31 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.416 HG21 ' HB3' ' A' ' 79' ' ' SER . 45.6 mt -105.67 125.19 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -125.84 178.46 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' NH1' HG12 ' A' ' 76' ' ' VAL . 23.4 tpp180 -58.37 -54.14 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -128.14 39.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -160.44 134.86 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.422 HD22 HD21 ' A' ' 93' ' ' LEU . 35.7 tp -135.9 139.55 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -140.15 139.08 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.531 HG13 HG22 ' A' ' 48' ' ' VAL . 78.3 t -144.93 147.57 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.45 -152.39 21.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 60' ' ' LYS . 17.9 mt -131.56 129.33 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.621 ' HE3' HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -31.99 -72.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.12 50.52 2.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -175.83 164.65 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.47 66.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.804 HG11 HG11 ' A' ' 33' ' ' VAL . 8.5 p -48.69 -32.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.765 HG23 HG13 ' A' ' 65' ' ' VAL . 47.3 t -130.45 120.8 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -152.66 106.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.55 152.37 9.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 107' ' ' THR . 39.5 tt0 -59.72 139.8 56.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 mt -74.63 140.39 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.92 -44.03 50.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -142.65 172.77 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.47 144.72 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 74' ' ' VAL . 33.2 m -137.77 120.82 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -44.01 91.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.7 p -65.56 -41.64 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.89 -19.46 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.35 -36.12 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 50' ' ' ILE . 4.4 m -50.72 151.1 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -170.23 148.4 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.424 ' CB ' HG22 ' A' ' 91' ' ' VAL . 41.3 p-90 -120.32 167.82 11.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 pp -155.21 150.23 26.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 41' ' ' LEU . 85.5 mt -84.85 126.15 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.18 131.22 51.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 87' ' ' LYS . 33.8 m-20 41.38 32.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.06 22.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.636 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.6 ptmt -127.11 -15.77 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.636 HG23 ' HG3' ' A' ' 87' ' ' LYS . 21.8 t -136.15 154.44 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.411 ' N ' HG12 ' A' ' 88' ' ' VAL . 25.9 t -120.81 100.94 9.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -88.34 138.65 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.485 ' HB ' HD23 ' A' ' 31' ' ' LEU . 43.1 t -129.77 115.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 3.2 t60 -87.0 123.9 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.422 HD21 HD22 ' A' ' 55' ' ' LEU . 26.8 mt -112.09 117.35 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.43 123.72 29.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -81.57 117.46 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.6 mm -42.48 -36.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -124.4 118.26 26.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.07 -16.51 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.72 32.44 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -133.26 142.08 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.492 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -103.77 164.93 11.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 7.7 m0 -122.91 141.2 52.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -96.91 -14.62 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 -173.08 161.33 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.669 ' HG ' HG13 ' A' ' 106' ' ' VAL . 21.4 tp -69.67 -59.21 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.669 HG13 ' HG ' ' A' ' 105' ' ' LEU . 12.4 m -130.1 -177.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 69' ' ' GLU . 82.1 p -84.24 26.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -120.11 -43.8 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.51 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -69.63 162.37 67.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.23 35.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.312 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -91.77 160.29 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.569 HD11 ' NE2' ' A' ' 24' ' ' GLN . 6.8 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.9 -146.37 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.55 120.07 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.74 109.05 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.706 HD12 ' CE1' ' A' ' 20' ' ' TYR . 2.0 mt -112.44 151.3 43.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.722 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -21.86 33.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -89.59 -34.15 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.706 ' CE1' HD12 ' A' ' 17' ' ' LEU . 2.7 p90 -174.3 150.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 141.65 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.2 p-90 -146.82 145.83 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -122.03 164.69 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -138.66 132.83 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ALA . 59.7 p -131.14 143.46 50.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -41.29 -24.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -83.87 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.52 177.43 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -113.63 155.41 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.624 ' N ' HD23 ' A' ' 29' ' ' LEU . 8.3 m-20 -134.13 149.04 51.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG23 ' A' ' 33' ' ' VAL . 3.1 tp -139.81 146.36 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.579 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -139.97 106.0 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.661 HG23 HD11 ' A' ' 31' ' ' LEU . 92.8 t -107.82 104.77 54.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.723 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.604 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.4 Cg_endo -69.82 122.46 9.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -97.89 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -87.26 82.93 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 41' ' ' LEU . 32.5 m -140.15 153.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -110.44 20.26 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.92 179.32 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -85.35 119.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 37' ' ' VAL . 61.4 mt -74.58 139.28 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mmmt -101.14 136.71 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -77.2 -36.61 54.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.4 m-20 -58.47 -40.84 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.692 HG12 HD23 ' A' ' 59' ' ' LEU . 34.3 m -94.97 153.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.97 107.4 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.56 HG13 HG22 ' A' ' 57' ' ' VAL . 73.8 t -122.63 95.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.66 121.33 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 79' ' ' SER . 62.7 mt -113.25 123.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -123.38 -176.08 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.2 tpp85 -64.44 -58.3 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -122.25 36.92 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 70' ' ' LEU . 38.3 t-80 -159.9 138.75 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 56' ' ' ARG . 15.5 tp -139.08 138.8 37.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' H ' HD12 ' A' ' 55' ' ' LEU . 35.3 ttt180 -137.13 131.92 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG22 HG13 ' A' ' 48' ' ' VAL . 53.4 t -134.94 154.35 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 153.13 -151.0 22.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.692 HD23 HG12 ' A' ' 46' ' ' VAL . 60.0 mt -119.59 160.81 21.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.857 0.36 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -60.07 131.02 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.11 -55.9 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -57.2 162.24 4.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.66 23.82 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 t -63.55 -38.87 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.45 116.43 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -151.1 108.32 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 146.1 5.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -53.47 133.6 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 54' ' ' HIS . 43.4 mt -71.5 142.3 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -49.2 -55.68 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -128.22 174.7 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -71.14 151.61 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.578 HG21 HD22 ' A' ' 93' ' ' LEU . 31.1 m -143.58 127.32 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -46.98 89.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -64.92 -37.29 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.91 -22.09 46.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.89 -32.21 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.557 ' HB3' HG21 ' A' ' 50' ' ' ILE . 18.7 m -47.08 150.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -165.84 173.53 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.603 ' HB3' HG13 ' A' ' 91' ' ' VAL . 40.2 p-90 -146.63 170.15 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.6 pp -162.17 140.56 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -78.92 123.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.6 mm-40 -99.13 143.8 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 41.3 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 48.57 17.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.51 -18.2 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 34' ' ' PRO . 61.9 t -122.24 157.54 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.494 ' N ' HG12 ' A' ' 88' ' ' VAL . 54.4 t -126.65 98.67 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.5 p -90.69 141.59 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' HB3' ' A' ' 81' ' ' TRP . 22.2 t -133.3 120.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -88.83 131.56 35.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.578 HD22 HG21 ' A' ' 74' ' ' VAL . 45.9 mt -119.74 116.7 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -83.66 118.82 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' CE ' ' CD1' ' A' ' 102' ' ' TRP . 72.8 mttt -75.38 120.11 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -44.53 -39.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -118.52 114.32 22.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -68.62 -9.46 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 11.8 mmt -105.84 36.23 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.0 tp10 -137.16 146.53 45.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.43 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 50.5 m95 -105.7 168.82 8.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.432 ' CD1' ' CE ' ' A' ' 95' ' ' LYS . 8.0 m95 -122.57 146.7 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -100.27 -16.87 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 107' ' ' THR . 37.2 ptt180 -174.76 156.88 2.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 56.1 tp -62.4 -54.06 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.499 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.7 m -133.52 179.17 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.422 HG22 HH21 ' A' ' 104' ' ' ARG . 20.8 p -83.99 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.5 t -122.76 -45.61 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.499 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -68.38 161.99 65.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.829 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.56 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.88 165.47 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.45 -135.39 8.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.7 121.91 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.19 111.45 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.712 HD12 ' CE1' ' A' ' 20' ' ' TYR . 5.0 mt -113.29 153.28 45.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -89.75 -34.77 16.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.712 ' CE1' HD12 ' A' ' 17' ' ' LEU . 2.5 p90 -169.06 161.17 10.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -120.54 131.03 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.7 p-90 -138.1 144.61 40.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.3 p -117.75 176.08 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' HD11 ' A' ' 112' ' ' ILE . 26.1 pt20 -152.27 139.44 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.9 p -136.11 177.65 7.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.573 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 31.6 mt -80.95 17.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.96 -44.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -168.64 -179.66 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -111.0 158.71 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -140.04 115.0 9.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 32' ' ' ALA . 5.0 tp -112.43 140.8 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.708 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -136.84 119.68 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.054 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.784 HG11 HG11 ' A' ' 65' ' ' VAL . 92.3 t -112.45 100.04 48.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.5 Cg_endo -69.73 121.99 8.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -111.42 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -67.06 72.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m -115.64 148.58 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -109.43 26.42 10.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.4 -177.99 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -87.21 127.98 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 83' ' ' ILE . 54.5 mt -84.34 139.44 32.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -104.77 146.96 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.61 -36.65 4.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -76.43 -36.27 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.04 -39.46 72.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.776 HG12 HD23 ' A' ' 59' ' ' LEU . 30.1 m -95.48 164.36 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.44 108.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 56' ' ' ARG . 99.1 t -127.69 120.7 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.77 103.91 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.2 mt -94.52 128.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -130.87 179.55 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -62.75 -52.72 62.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 -126.0 34.5 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -158.13 142.87 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 93' ' ' LEU . 26.7 tp -141.1 148.26 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.624 ' H ' HD12 ' A' ' 55' ' ' LEU . 17.8 ttm180 -140.19 143.38 36.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -148.31 139.7 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.78 -167.84 40.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.776 HD23 HG12 ' A' ' 46' ' ' VAL . 19.1 mt -117.05 137.87 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -33.53 132.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 76.09 -56.37 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -57.22 162.38 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.96 61.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.037 HG13 HG23 ' A' ' 66' ' ' VAL . 10.4 p -48.37 -29.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.037 HG23 HG13 ' A' ' 65' ' ' VAL . 42.0 t -130.78 115.9 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 5.8 p-10 -153.16 106.41 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.39 147.71 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -54.71 131.95 44.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.33 148.04 50.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.01 -40.07 72.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -142.47 -178.69 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.7 154.34 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.778 HG21 HD22 ' A' ' 93' ' ' LEU . 18.8 m -146.81 123.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -46.28 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.6 p -70.57 -38.18 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.2 -21.89 60.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -106.03 -38.8 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -46.22 155.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.6 p -172.48 141.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.547 ' HB3' HG13 ' A' ' 91' ' ' VAL . 51.6 p-90 -111.72 171.73 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 pp -158.78 168.76 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.68 HD13 ' O ' ' A' ' 41' ' ' LEU . 72.3 mt -100.55 127.3 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' A' ' 82' ' ' LEU . 30.8 mm-40 -105.0 124.76 50.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' CB ' ' HG2' ' A' ' 87' ' ' LYS . 22.6 m-20 45.32 34.32 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.36 29.44 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.743 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.6 ptmt -131.33 -29.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 87' ' ' LYS . 22.7 t -122.93 156.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.451 ' N ' HG12 ' A' ' 88' ' ' VAL . 94.1 t -123.0 98.96 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -86.84 143.21 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.547 HG13 ' HB3' ' A' ' 81' ' ' TRP . 28.1 t -130.09 107.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.95 116.49 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 74' ' ' VAL . 33.5 mt -111.08 121.98 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.93 118.88 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.41 116.63 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.1 mm -44.25 -38.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -120.36 107.13 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' LEU . 17.6 mmtp -59.33 -33.06 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 7.8 mmt -84.63 29.69 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.25 137.55 52.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.573 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 60.1 m95 -102.8 167.61 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.403 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 8.8 m0 -124.0 140.14 53.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.32 -17.22 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -172.24 167.11 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 57.2 tp -69.74 -52.61 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.63 -176.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.2 p -83.95 25.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -125.45 -35.7 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.77 155.01 94.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.566 0.698 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.1 52.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.298 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.65 155.88 36.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.495 HD11 ' NE2' ' A' ' 24' ' ' GLN . 5.5 pt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.29 -150.45 25.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.93 120.81 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.5 110.28 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -111.88 152.87 44.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.11 31.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -87.77 -34.56 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.607 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.8 p90 -172.38 159.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HG3' ' HB3' ' A' ' 32' ' ' ALA . 18.1 ptt180 -116.65 134.41 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.555 ' HB3' HD12 ' A' ' 31' ' ' LEU . 30.7 p-90 -139.92 135.39 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -118.54 140.97 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.733 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.3 pt20 -116.24 137.13 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.3 p -135.36 144.62 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.7 mt -37.81 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.3 -65.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.35 176.6 11.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -112.92 127.58 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.98 117.09 31.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 22' ' ' TRP . 6.3 tp -104.43 150.82 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . . . -141.23 115.18 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HG11 ' A' ' 65' ' ' VAL . 59.8 t -116.4 105.55 50.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 111.082 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 122.73 9.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 3.3 m-30 -99.11 113.33 25.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -61.65 82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 35' ' ' PHE . 35.1 m -140.87 154.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -111.83 24.28 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.4 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 29.9 p90 -141.92 -174.96 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -92.73 124.96 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' HB2' HG21 ' A' ' 83' ' ' ILE . 34.9 mt -76.96 155.01 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 24.3 mmtt -119.67 133.55 55.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.81 -35.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -74.97 -38.68 61.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 42' ' ' LYS . 83.3 m-20 -59.15 -40.45 85.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -92.76 148.65 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.6 t -124.23 97.79 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 57' ' ' VAL . 43.0 t -115.36 99.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.68 117.41 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.553 HG21 ' HB3' ' A' ' 79' ' ' SER . 70.1 mt -107.64 115.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -113.34 -177.27 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -63.23 -56.21 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -123.69 36.22 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -159.3 142.79 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 93' ' ' LEU . 14.8 tp -144.61 144.98 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -139.28 145.63 39.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 48' ' ' VAL . 83.3 t -146.15 140.08 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.79 166.89 14.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD2' ' CE2' ' A' ' 35' ' ' PHE . 4.4 mm? -75.64 135.38 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' LEU . 1.4 tmtp? -34.29 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -80.76 57.14 4.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 mt-30 -168.36 166.41 7.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 62' ' ' GLN . 53.7 Cg_endo -69.73 137.0 34.49 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.045 HG13 HG23 ' A' ' 66' ' ' VAL . 7.2 p -55.75 -29.7 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.045 HG23 HG13 ' A' ' 65' ' ' VAL . 47.9 t -127.47 111.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.96 109.18 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.06 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.79 132.33 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.61 148.31 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -55.7 -50.64 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -137.34 -178.55 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -72.13 140.73 49.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.582 HG21 HD22 ' A' ' 93' ' ' LEU . 18.8 m -134.41 120.99 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -42.09 93.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -68.77 -40.41 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -58.16 -21.65 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' OE1' ' A' ' 94' ' ' GLU . 18.1 mm-40 -106.25 -33.44 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.553 ' HB3' HG21 ' A' ' 50' ' ' ILE . 5.7 m -48.12 155.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -174.5 151.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CB ' HG22 ' A' ' 91' ' ' VAL . 58.2 p-90 -123.89 171.61 9.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.29 144.71 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 41' ' ' LEU . 10.4 mt -85.81 113.54 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.67 133.37 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 31.2 t0 56.3 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 19.5 0.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 9.4 ptpt -131.7 -28.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.24 146.08 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.66 102.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.8 p -95.58 127.34 41.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 81' ' ' TRP . 60.9 t -113.21 120.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.7 t60 -91.33 113.73 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 74' ' ' VAL . 36.5 mt -105.86 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 2.3 tt0 -83.34 125.13 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' ILE . 73.6 mttt -81.79 113.58 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' LYS . 17.8 mm -34.09 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' LYS . 44.3 t30 -124.58 126.56 46.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -75.41 -14.2 60.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.3 mmt -100.74 35.82 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -135.48 145.17 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 44.4 m95 -106.34 165.76 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.493 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.2 m95 -120.67 141.08 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -94.12 -19.65 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -175.1 156.01 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.577 ' HG ' HG13 ' A' ' 106' ' ' VAL . 36.2 tp -61.3 -65.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.577 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.9 m -128.35 150.28 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.0 p -42.01 -29.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 t -71.04 -45.22 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.466 ' H ' HG23 ' A' ' 106' ' ' VAL . 5.2 m-20 -59.97 156.04 39.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.47 67.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.02 148.93 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.733 HD11 ' NE2' ' A' ' 24' ' ' GLN . 5.4 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 28.9 m-80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.52 -147.76 20.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.12 121.22 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.79 109.73 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -111.12 150.82 42.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -20.09 35.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -89.79 -32.75 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CE2' HG22 ' A' ' 66' ' ' VAL . 5.1 p90 -174.45 153.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -110.24 136.31 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 48.2 p-90 -142.85 137.44 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -122.43 147.86 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' A' ' 112' ' ' ILE . 8.0 pt20 -124.57 127.41 47.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.6 p -125.23 143.73 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -37.09 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.97 -67.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -150.58 177.41 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -111.17 140.51 45.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.64 117.24 24.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.816 HD12 ' H ' ' A' ' 32' ' ' ALA . 6.1 tp -105.33 148.12 27.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.816 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.21 112.73 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.6 t -109.42 103.71 53.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.735 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.8 121.96 8.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 26.3 m-85 -107.29 111.8 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -60.71 76.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' PHE . 33.6 m -123.23 149.61 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -109.32 25.97 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -145.96 -176.8 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -90.92 128.06 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.63 150.52 25.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.2 mmtp -122.82 140.12 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.45 -38.88 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 45' ' ' ASP . 1.6 pptp? -75.14 -36.52 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.464 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 26.5 t0 -60.17 -38.67 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.704 HG12 ' CD2' ' A' ' 59' ' ' LEU . 34.9 m -96.24 152.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' NH2' ' A' ' 56' ' ' ARG . 53.3 t -119.4 113.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.12 120.32 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.25 104.3 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.5 mt -93.42 131.61 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -128.15 178.19 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.76 -52.04 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -125.54 34.97 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.442 ' N ' HD12 ' A' ' 70' ' ' LEU . 12.5 t-80 -161.23 149.9 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.605 HD22 HD11 ' A' ' 93' ' ' LEU . 18.2 tp -146.59 147.25 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.474 ' H ' HD12 ' A' ' 55' ' ' LEU . 33.3 ttp180 -139.12 136.74 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' VAL . 84.1 t -140.1 137.32 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.67 -155.99 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.704 ' CD2' HG12 ' A' ' 46' ' ' VAL . 36.8 mt -129.98 145.9 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 2.5 tmtp? -33.62 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -85.51 60.46 4.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.499 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 2.8 mt-30 -177.33 155.35 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.42 67.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' VAL . 59.2 t -54.31 -38.44 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 20' ' ' TYR . 82.7 t -117.62 109.86 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -139.96 111.58 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 174.17 151.63 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.98 133.44 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 54' ' ' HIS . 25.3 mt -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -49.89 -53.2 27.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -131.25 -175.04 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -78.61 142.6 37.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.873 HG21 HD22 ' A' ' 93' ' ' LEU . 21.2 m -135.18 123.21 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -44.46 95.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -72.53 -40.25 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -57.04 -21.09 28.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -107.46 -39.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 m -47.26 152.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.6 p -168.25 147.01 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.436 ' HB3' HG13 ' A' ' 91' ' ' VAL . 41.1 p-90 -112.3 170.76 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.9 pp -158.93 143.16 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 42.8 mt -78.52 128.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.56 ' HG2' HD11 ' A' ' 82' ' ' LEU . 1.7 mm-40 -107.27 124.51 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' CB ' ' HG2' ' A' ' 87' ' ' LYS . 75.8 m-20 47.91 30.62 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.485 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 42.52 28.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.54 ' HG3' HG23 ' A' ' 88' ' ' VAL . 9.0 ptpt -131.24 -28.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.54 HG23 ' HG3' ' A' ' 87' ' ' LYS . 20.1 t -123.97 149.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.42 99.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -88.1 139.01 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.436 HG13 ' HB3' ' A' ' 81' ' ' TRP . 37.8 t -129.16 111.46 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -81.11 116.98 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.873 HD22 HG21 ' A' ' 74' ' ' VAL . 44.8 mt -110.67 116.46 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -83.16 124.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ILE . 74.7 mttt -79.41 111.03 15.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.3 mm -33.67 -36.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' LYS . 48.6 m-80 -125.29 121.62 34.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 36.6 mmtt -73.99 -17.06 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.6 mmt -97.35 32.04 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.96 142.2 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.556 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 57.5 m95 -101.1 174.31 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.475 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.4 m0 -125.89 148.15 49.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -96.57 -20.88 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.433 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 13.7 ptt-85 -174.83 165.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HG ' HG13 ' A' ' 106' ' ' VAL . 53.6 tp -67.5 -56.82 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.562 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.2 m -137.16 151.3 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.8 p -46.36 -40.33 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.1 m -60.7 -31.97 71.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.12 161.46 73.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.52 18.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.84 146.22 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 24' ' ' GLN . 6.9 pt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -93.79 177.03 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -105.21 128.77 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 -92.93 0.49 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -111.6 99.65 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -65.21 -40.29 93.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.0 112.2 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -110.93 144.7 30.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.382 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -107.58 176.49 5.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -44.84 -34.36 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -93.01 37.29 3.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 19.3 m-80 36.9 31.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.383 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -96.31 -148.58 24.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.04 128.37 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -89.45 102.89 15.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.841 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -97.8 152.68 38.24 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.587 0.708 . . . . 0.0 110.923 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -15.63 37.28 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.86 -26.98 14.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.841 ' CE1' HD12 ' A' ' 17' ' ' LEU . 19.6 p90 -174.32 170.03 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.599 ' HG2' ' HB3' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -126.01 142.12 51.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.742 ' CG ' HD23 ' A' ' 105' ' ' LEU . 51.6 p-90 -148.94 148.74 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.3 p -120.63 157.51 29.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.0 pt20 -142.2 134.69 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 50.7 p -137.14 174.08 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.754 HD21 ' CD1' ' A' ' 101' ' ' TRP . 12.0 mt -63.9 -11.59 29.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.16 -69.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -150.87 174.19 13.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.658 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -112.75 153.25 28.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.658 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.2 t70 -136.15 139.95 43.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.659 HD12 ' N ' ' A' ' 32' ' ' ALA . 3.3 tp -125.28 142.91 51.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.659 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -135.08 107.2 7.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 31' ' ' LEU . 59.7 t -102.91 98.11 10.78 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.62 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.9 Cg_endo -69.8 121.86 8.54 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.462 ' CD1' HD11 ' A' ' 59' ' ' LEU . 52.5 m-85 -105.97 129.05 54.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -71.48 72.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 m -119.27 158.53 20.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -116.89 6.63 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -127.44 -176.34 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -89.31 129.26 35.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 83' ' ' ILE . 91.7 mt -86.04 137.33 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -105.84 143.54 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.03 -27.97 0.68 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -83.41 -37.4 23.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.735 0.303 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -57.63 -38.73 75.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG12 HD23 ' A' ' 59' ' ' LEU . 26.8 m -96.33 159.62 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.9 t -129.62 97.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 57' ' ' VAL . 70.8 t -115.6 106.68 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -102.83 118.31 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.482 HG21 ' HB3' ' A' ' 79' ' ' SER . 53.9 mt -110.4 128.47 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -130.22 -177.98 4.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -55.13 -63.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.0 ttm180 -121.5 29.47 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -146.05 134.99 22.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 93' ' ' LEU . 18.7 tp -137.79 141.74 40.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -139.42 140.03 37.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.543 HG22 HG13 ' A' ' 48' ' ' VAL . 74.4 t -145.5 142.52 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 173.26 -151.93 14.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.713 HD23 HG12 ' A' ' 46' ' ' VAL . 3.6 mt -130.95 140.5 50.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -44.24 131.42 6.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.29 -53.98 4.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.458 ' CD ' ' HD2' ' A' ' 63' ' ' PRO . 4.4 mm100 -66.73 163.08 45.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.458 ' HD2' ' CD ' ' A' ' 62' ' ' GLN . 53.2 Cg_endo -69.73 144.08 53.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 117.69 5.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.62 -40.08 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 20' ' ' TYR . 87.9 t -120.19 113.53 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.75 105.52 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.17 163.08 27.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -65.22 143.88 57.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.869 0.366 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.6 mt -79.45 147.03 32.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' HB3' ' CE3' ' A' ' 102' ' ' TRP . 24.5 t80 -50.48 -41.53 53.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.426 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 3.3 t30 -147.78 174.83 11.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 12.1 mt-10 -67.51 142.59 56.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.547 HG21 HD22 ' A' ' 93' ' ' LEU . 23.9 m -135.24 121.07 31.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -43.91 91.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.9 p -66.97 -42.89 89.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 76' ' ' VAL . 5.7 mt-10 -54.64 -14.76 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -114.11 -36.83 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.482 ' HB3' HG21 ' A' ' 50' ' ' ILE . 6.7 m -45.39 154.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 m -169.52 156.34 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.464 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -131.09 164.2 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 pp -151.7 156.28 40.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 41' ' ' LEU . 35.2 mt -90.81 130.88 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -105.52 126.18 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 48.14 27.05 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.466 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 49.1 24.28 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.773 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.5 ptmt -127.13 -33.17 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.773 HG23 ' HG3' ' A' ' 87' ' ' LYS . 71.1 t -116.39 159.31 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.519 ' N ' HG12 ' A' ' 88' ' ' VAL . 38.9 t -125.4 99.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.1 p -85.62 141.15 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 81' ' ' TRP . 59.3 t -131.67 119.12 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -90.13 131.11 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.547 HD22 HG21 ' A' ' 74' ' ' VAL . 43.9 mt -120.94 116.06 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.438 ' C ' ' OE1' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -83.42 122.83 29.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 97' ' ' ASN . 63.2 mttt -78.07 112.28 14.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 95' ' ' LYS . 33.6 mm -37.11 -30.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 95' ' ' LYS . 58.2 m-20 -133.25 123.0 24.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -73.44 3.25 6.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 91.0 mmm -112.58 28.39 8.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -128.25 143.85 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.754 ' CD1' HD21 ' A' ' 26' ' ' LEU . 43.0 m95 -114.34 142.21 46.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 71' ' ' TYR . 11.1 m95 -97.18 152.35 18.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -110.03 -10.43 14.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -175.3 162.7 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD23 ' CG ' ' A' ' 22' ' ' TRP . 0.4 OUTLIER -63.4 -59.44 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.747 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.7 m -130.52 -177.79 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.7 p -82.09 12.58 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.554 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.6 t -107.63 -38.82 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.747 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -76.58 160.79 76.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 166.78 26.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -98.11 168.67 10.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 114' ' ' THR . 1.2 pt -136.56 138.9 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -59.65 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 112' ' ' ILE . 41.2 p -55.39 -45.11 76.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -92.18 155.43 18.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 94.4 p -154.21 152.94 30.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 125.83 150.79 7.76 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -13.3 34.35 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.324 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.3 p -55.72 143.61 30.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -66.62 -44.25 82.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.81 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.553 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -59.13 159.44 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.828 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -138.19 114.59 10.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.67 169.31 23.88 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -97.65 -48.79 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 p -97.12 108.71 21.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.12 168.81 28.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -119.3 152.38 52.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.536 0.684 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -129.44 174.72 9.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -46.87 -47.22 21.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -80.22 39.64 2.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 12' ' ' GLY . 56.4 m-80 36.38 38.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.14 -147.65 13.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.28 121.01 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -82.55 109.44 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -112.99 150.99 43.75 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.932 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.81 30.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -85.98 -34.83 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.576 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.1 p90 -171.18 155.42 4.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' HG3' ' HB3' ' A' ' 32' ' ' ALA . 16.1 ptm180 -115.12 135.6 54.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.46 ' CH2' ' HA ' ' A' ' 104' ' ' ARG . 45.9 p-90 -143.07 139.14 30.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.1 p -120.05 149.02 42.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 6.3 pt20 -128.63 137.89 51.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' ALA . 54.6 p -137.24 148.44 46.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.524 HD21 ' CD1' ' A' ' 101' ' ' TRP . 54.6 mt -40.49 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -82.65 -67.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.9 176.68 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.826 HD23 ' H ' ' A' ' 30' ' ' ASP . 1.3 tt -112.79 167.0 10.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.826 ' H ' HD23 ' A' ' 29' ' ' LEU . 66.0 m-20 -149.77 143.66 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 tp -134.19 141.74 47.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . . . -132.96 105.7 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.2 t -102.41 96.39 7.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.68 121.97 8.67 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.557 ' CD1' HD11 ' A' ' 59' ' ' LEU . 54.5 m-85 -105.26 124.64 49.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -69.07 70.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.432 HG11 HD21 ' A' ' 41' ' ' LEU . 32.6 m -114.64 147.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -106.97 18.31 21.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -140.2 -178.89 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.1 ttm-85 -83.08 133.0 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD21 HG11 ' A' ' 37' ' ' VAL . 83.1 mt -87.2 135.72 33.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 45' ' ' ASP . 64.2 mmtt -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.2 -33.22 0.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -78.14 -34.75 49.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' LYS . 25.0 t0 -59.79 -42.16 92.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG12 HD23 ' A' ' 59' ' ' LEU . 34.4 m -92.81 158.31 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.94 103.88 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG22 HG22 ' A' ' 57' ' ' VAL . 55.2 t -122.77 114.24 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -109.06 107.2 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB3' ' A' ' 79' ' ' SER . 41.0 mt -97.73 128.27 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -127.66 -175.95 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -63.68 -52.75 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.4 32.65 4.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.0 t-80 -153.49 139.52 18.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.788 HD22 HD11 ' A' ' 93' ' ' LEU . 20.3 tp -143.31 141.54 31.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 12.0 ttm180 -139.51 146.35 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.57 HG22 HG22 ' A' ' 48' ' ' VAL . 95.7 t -146.72 142.81 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.87 -150.3 12.31 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.612 HD23 HG12 ' A' ' 46' ' ' VAL . 7.5 mt -135.81 136.86 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -39.9 136.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.15 -49.57 2.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.11 160.52 82.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 69.7 t -61.48 -42.49 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG22 ' CE2' ' A' ' 20' ' ' TYR . 78.5 t -116.17 113.28 42.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -144.66 106.45 4.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.93 150.4 9.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -57.39 140.79 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' HIS . 41.4 mt -75.59 140.23 42.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -49.61 -44.2 47.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -143.31 168.01 20.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -63.44 145.11 56.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 93' ' ' LEU . 23.0 m -136.36 123.79 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -43.74 92.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.8 p -69.12 -37.53 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.77 -22.38 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -109.4 -36.74 5.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.469 ' HB3' HG21 ' A' ' 50' ' ' ILE . 58.8 m -44.88 156.85 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.1 m -174.37 169.62 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.432 ' HB3' HG13 ' A' ' 91' ' ' VAL . 63.2 p-90 -140.92 166.84 23.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 pp -157.8 162.11 38.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.569 HG21 ' HA2' ' A' ' 86' ' ' GLY . 55.6 mt -92.4 138.94 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -114.0 109.82 19.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.8 t0 66.1 26.73 10.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.569 ' HA2' HG21 ' A' ' 83' ' ' ILE . . . 50.72 25.82 9.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.535 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.833 ' HG3' HG23 ' A' ' 88' ' ' VAL . 16.7 ptmt -131.43 -43.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.833 HG23 ' HG3' ' A' ' 87' ' ' LYS . 60.3 t -103.49 159.46 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.521 ' N ' HG12 ' A' ' 88' ' ' VAL . 42.7 t -127.41 99.52 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.0 p -85.91 140.54 30.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.432 HG13 ' HB3' ' A' ' 81' ' ' TRP . 41.5 t -129.01 113.79 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -85.7 123.5 31.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.788 HD11 HD22 ' A' ' 55' ' ' LEU . 54.6 mt -113.94 117.99 32.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -84.56 119.86 25.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -78.19 120.39 22.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.5 mm -45.64 -43.72 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -109.69 111.34 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -68.08 -3.79 11.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 87.6 mmm -116.19 34.02 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -131.87 145.24 51.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.524 ' CD1' HD21 ' A' ' 26' ' ' LEU . 59.5 m95 -103.43 162.41 13.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.491 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.3 m0 -118.08 143.39 46.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 32.4 t30 -91.62 -21.95 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 16.8 ptt180 -175.04 160.59 2.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.32 -58.84 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 109' ' ' ASP . 4.5 m -133.9 150.55 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.5 p -46.52 -28.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -66.68 -48.58 68.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.446 ' H ' HG23 ' A' ' 106' ' ' VAL . 7.3 m-20 -60.86 161.32 15.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 161.17 46.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.455 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 2.6 mp0 -95.19 156.84 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.401 HD11 HE22 ' A' ' 24' ' ' GLN . 1.6 pt -133.72 128.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -46.02 117.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.442 HG23 ' OD1' ' A' ' 103' ' ' ASN . 34.6 p -102.71 143.84 31.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -153.12 134.27 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 77.5 p -144.99 120.63 10.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -121.41 89.11 0.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 106.04 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.3 p -166.09 158.17 14.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -112.05 148.87 32.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -103.85 -59.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.378 . . . . 0.0 110.887 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -110.04 42.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.25 54.47 4.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t 55.95 41.76 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -112.04 142.11 44.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.37 77.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.541 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.19 152.17 75.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.91 36.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.567 ' OD1' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER -112.4 -75.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 10' ' ' ASN . 3.3 mm? -128.12 -29.87 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -124.45 67.43 0.51 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' GLY . 26.3 m-80 34.46 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.528 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -93.42 -133.78 6.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . . . -149.54 120.19 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.86 101.84 13.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.731 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.5 mt -108.72 153.69 42.14 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -22.39 32.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -89.9 -33.22 16.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.731 ' CD1' HD12 ' A' ' 17' ' ' LEU . 3.4 p90 -173.08 156.24 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.74 139.88 50.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.551 ' CE2' ' HB3' ' A' ' 15' ' ' ALA . 67.6 p-90 -137.88 150.65 47.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.567 HG22 ' OD1' ' A' ' 10' ' ' ASN . 68.1 p -122.94 156.88 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.545 ' NE2' HD11 ' A' ' 112' ' ' ILE . 16.5 pt20 -135.21 135.41 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.5 p -134.61 141.55 46.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.4 mt -37.19 -28.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -64.8 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -150.76 175.06 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.828 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.6 tt -111.07 167.24 10.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.828 ' N ' HD23 ' A' ' 29' ' ' LEU . 12.4 t70 -149.9 149.95 31.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.541 HD12 ' H ' ' A' ' 32' ' ' ALA . 2.3 tp -136.98 147.36 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.541 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -137.88 112.83 9.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -110.06 103.82 54.36 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.586 0.707 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.39 12.1 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -111.68 116.86 31.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -63.46 80.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG11 HD21 ' A' ' 41' ' ' LEU . 27.0 m -125.06 145.32 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -103.24 21.74 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -146.04 -175.43 4.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 -92.05 121.96 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 37' ' ' VAL . 74.8 mt -72.07 155.82 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.4 mmpt? -123.6 142.94 50.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.2 -38.77 3.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.511 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.71 -29.58 56.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.737 0.304 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 19.7 t0 -64.64 -40.58 95.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.677 HG12 HD23 ' A' ' 59' ' ' LEU . 34.8 m -93.49 156.83 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.9 t -125.83 107.87 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.537 HG22 HG13 ' A' ' 57' ' ' VAL . 83.4 t -123.67 113.71 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -109.49 110.75 21.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.464 HD11 HG13 ' A' ' 91' ' ' VAL . 70.5 mt -104.35 128.57 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -128.08 -178.99 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -61.85 -52.15 65.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -127.76 33.73 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.33 139.4 15.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 93' ' ' LEU . 21.5 tp -138.93 141.69 38.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 21.4 ttm-85 -140.01 138.95 35.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.537 HG13 HG22 ' A' ' 48' ' ' VAL . 89.3 t -143.73 142.65 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.09 -149.04 11.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.677 HD23 HG12 ' A' ' 46' ' ' VAL . 14.1 mt -132.91 147.59 52.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -48.32 133.38 15.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.8 -49.89 2.88 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.49 161.05 68.59 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.553 0.692 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.51 57.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.619 2.212 . . . . 0.0 112.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 119.93 6.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.367 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.32 -38.54 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.1 t -118.4 119.29 60.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -151.51 115.55 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.53 154.73 10.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.512 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -66.41 131.66 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.31 138.87 57.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -50.73 -44.02 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -139.28 171.2 14.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.88 155.82 32.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 74' ' ' VAL . 27.6 m -149.72 121.69 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -46.04 93.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.5 p -69.31 -40.42 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.33 -21.54 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -105.74 -39.57 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 m -45.22 147.06 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -163.56 149.6 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.451 ' CB ' HG22 ' A' ' 91' ' ' VAL . 39.4 p-90 -118.63 175.32 5.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -163.38 151.08 13.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.486 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 88.3 mt -85.05 129.11 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -105.34 122.08 45.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 46.63 35.45 3.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.486 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.64 32.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.441 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.685 ' HG3' HG23 ' A' ' 88' ' ' VAL . 19.4 ptmt -134.36 -31.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.357 . . . . 0.0 110.933 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.685 HG23 ' HG3' ' A' ' 87' ' ' LYS . 36.6 t -121.25 154.92 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.432 ' N ' HG12 ' A' ' 88' ' ' VAL . 78.5 t -120.35 100.57 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 38.8 p -89.53 139.15 30.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 50' ' ' ILE . 46.6 t -130.15 118.5 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.19 130.85 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.497 HD11 HD22 ' A' ' 55' ' ' LEU . 52.1 mt -118.86 119.64 34.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 123.42 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 96' ' ' ILE . 66.8 mttt -81.36 108.53 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.545 HG22 ' ND2' ' A' ' 97' ' ' ASN . 37.2 mm -35.25 -40.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.545 ' ND2' HG22 ' A' ' 96' ' ' ILE . 5.6 m-80 -120.44 120.13 35.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -70.73 -22.59 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.0 mmt -93.02 32.29 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -133.73 145.52 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.514 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 55.6 m95 -107.68 172.05 7.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -126.25 141.19 52.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 111' ' ' GLU . 0.4 OUTLIER -93.98 -15.89 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -175.06 166.34 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.5 tp -72.11 -50.91 24.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 109' ' ' ASP . 9.9 m -150.81 144.88 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 106' ' ' VAL . 61.8 p -33.35 -39.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.9 t -61.3 -51.18 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' VAL . 9.4 m-20 -60.61 160.98 15.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.618 0.723 . . . . 0.0 110.832 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 154.38 67.61 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.47 ' HB3' ' ND2' ' A' ' 103' ' ' ASN . 1.9 mp0 -95.57 145.14 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.545 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.6 pt -120.2 133.22 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -56.23 121.7 10.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 52.9 p -100.31 113.87 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -106.85 100.46 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.3 p -68.92 125.3 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -146.36 81.06 0.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 98.69 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.353 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.9 t -80.31 98.0 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.797 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.5 t -67.31 113.01 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.517 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -106.17 103.54 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.863 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -85.61 42.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.7 66.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -86.1 110.77 19.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -151.95 143.99 23.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.58 95.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -129.7 148.09 68.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 138.65 38.44 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -106.54 -178.9 3.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mp -51.81 -44.44 63.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -79.69 41.5 2.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.535 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 12' ' ' GLY . 67.8 m-80 35.28 33.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.351 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -104.17 -143.08 12.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.45 120.12 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.73 0.3 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -81.02 107.44 13.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.622 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -108.39 151.3 41.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 110.874 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -19.99 35.52 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.668 2.246 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -90.8 -31.99 16.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.622 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.4 p90 -174.43 158.1 2.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -114.45 132.56 56.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 29.9 p-90 -139.34 136.89 35.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.0 p -120.57 153.68 36.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 10.8 pt20 -132.12 133.69 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p -131.21 -177.17 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.567 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 27.8 mt -82.05 16.68 1.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HB3' ' OE2' ' A' ' 28' ' ' GLU . . . -127.0 -48.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.115 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' OE2' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -164.53 174.52 10.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.605 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.4 tt -114.0 123.24 49.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.22 137.52 36.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 32' ' ' ALA . 5.8 tp -134.76 134.23 40.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.518 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -134.14 116.27 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 65' ' ' VAL . 73.4 t -110.25 98.81 37.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.675 0.75 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 123.42 10.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.546 ' HB3' HG13 ' A' ' 37' ' ' VAL . 38.1 m-85 -106.85 139.95 40.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -79.85 49.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.587 HG11 HD21 ' A' ' 41' ' ' LEU . 26.1 m -90.74 152.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -115.47 18.53 15.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -145.16 -179.35 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 ttp180 -79.27 115.15 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.587 HD21 HG11 ' A' ' 37' ' ' VAL . 25.9 mt -67.79 137.62 55.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -111.98 139.54 47.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.13 -38.95 1.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -72.31 -38.65 68.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.54 -40.76 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.668 HG12 HD23 ' A' ' 59' ' ' LEU . 35.1 m -93.93 148.03 5.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 92.4 t -120.15 101.78 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.515 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 54.6 t -119.37 114.15 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -110.32 115.12 29.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.805 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.0 mt -105.42 132.09 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -130.82 176.25 8.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -57.14 -50.53 72.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -130.55 38.38 3.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -161.11 136.6 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD22 HD11 ' A' ' 93' ' ' LEU . 30.2 tp -134.54 144.45 48.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -137.37 138.42 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.6 t -144.59 143.56 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.91 -153.0 21.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.668 HD23 HG12 ' A' ' 46' ' ' VAL . 9.8 mt -131.78 138.73 48.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 1.2 tmtp? -40.54 126.99 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 84.03 -54.05 4.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.37 163.0 15.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 110.909 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.1 55.93 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 112.39 3.07 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.991 HG13 HG23 ' A' ' 66' ' ' VAL . 10.8 p -63.73 -30.66 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.991 HG23 HG13 ' A' ' 65' ' ' VAL . 48.2 t -128.91 112.65 26.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -148.69 105.35 3.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -174.56 161.27 30.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -72.5 126.61 30.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.06 131.36 49.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -45.64 -36.32 4.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -143.96 -179.4 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.43 146.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 93' ' ' LEU . 19.9 m -138.88 122.67 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -43.11 95.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.0 p -73.04 -40.83 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -57.59 -21.51 39.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -106.22 -39.49 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -47.04 152.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.5 p -170.4 147.3 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.67 ' CB ' HG22 ' A' ' 91' ' ' VAL . 66.2 p-90 -119.92 164.11 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.2 pp -144.72 168.82 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.712 ' N ' HD12 ' A' ' 82' ' ' LEU . 63.5 mt -102.23 117.91 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.22 129.06 44.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 87' ' ' LYS . 47.5 m-20 40.1 34.46 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 39.28 24.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.604 ' HG3' HG23 ' A' ' 88' ' ' VAL . 2.0 ptpp? -127.09 -18.64 4.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.604 HG23 ' HG3' ' A' ' 87' ' ' LYS . 7.6 t -135.16 146.51 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.5 t -114.72 98.77 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -86.82 138.4 31.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 81' ' ' TRP . 58.4 t -127.13 120.48 55.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -90.09 118.51 29.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 74' ' ' VAL . 26.7 mt -111.54 115.96 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.52 115.46 22.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -69.72 114.39 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -40.17 -34.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -124.8 111.48 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 29.3 mmtp -62.74 -32.01 73.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 32.0 mmt -86.39 28.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -124.23 141.31 52.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.567 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 48.7 m95 -106.94 154.81 20.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.605 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 9.1 m0 -112.27 148.78 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.42 -16.07 16.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -174.71 162.76 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 53.9 tp -68.38 -57.42 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.8 m -142.45 146.4 22.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.2 p -39.53 -41.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 53.9 p -55.21 -47.22 75.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.62 161.31 71.65 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.13 66.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.635 2.223 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -94.86 144.54 25.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.3 pt -120.98 140.06 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -53.84 141.02 28.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.4 p -127.9 149.28 50.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -147.36 132.02 17.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.1 t -115.66 131.18 57.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.08 139.75 9.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.86 4.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.376 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 t -79.72 143.06 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.1 p -135.28 123.16 22.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -69.96 131.08 43.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -109.09 92.34 4.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.72 77.01 0.31 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 m -109.49 146.93 33.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.6 m -139.23 152.3 47.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.09 105.82 3.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HD3' ' N ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -115.07 153.14 47.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 53.8 Cg_endo -69.77 104.84 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.32 168.18 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp -46.17 -38.62 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.96 35.9 2.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.459 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.414 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 56.3 m-80 41.47 34.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.02 -148.97 18.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -143.53 120.85 11.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.75 105.89 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -109.39 152.81 42.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -24.86 29.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -85.98 -35.89 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CD1' HD12 ' A' ' 17' ' ' LEU . 7.3 p90 -170.62 152.16 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -114.98 135.92 53.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 42.1 p-90 -141.47 138.08 32.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -119.09 147.78 43.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.432 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 4.1 pt20 -122.93 139.95 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ALA . 30.7 p -137.95 144.82 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.5 mt -37.3 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -80.04 -67.41 0.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -150.28 177.78 9.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -110.89 165.93 11.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.785 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.2 m-20 -146.6 132.62 19.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 32' ' ' ALA . 4.6 tp -123.49 133.4 54.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.584 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -126.12 119.4 27.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 35' ' ' PHE . 78.7 t -114.44 95.99 41.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.7 126.34 13.24 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.712 ' CE1' HD21 ' A' ' 59' ' ' LEU . 97.0 m-85 -115.68 115.18 25.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -60.84 78.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' PHE . 23.6 m -121.25 148.3 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -105.24 10.81 33.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -130.96 -178.04 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -85.88 132.84 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HB2' HG21 ' A' ' 83' ' ' ILE . 22.4 mt -87.63 130.86 34.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 45' ' ' ASP . 26.5 mmmt -108.88 135.79 49.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.45 -33.95 0.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -38.15 59.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 42' ' ' LYS . 63.2 m-20 -57.01 -38.14 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 HD13 ' A' ' 59' ' ' LEU . 34.1 m -102.33 167.05 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.7 t -135.32 106.54 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.473 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 74.0 t -122.6 113.91 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -106.66 117.48 34.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.41 HG12 HD13 ' A' ' 55' ' ' LEU . 44.5 mt -108.55 128.99 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -126.2 -176.97 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.1 tpp85 -59.73 -53.34 59.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' NH2' ' HG3' ' A' ' 73' ' ' GLU . 15.2 ttm180 -129.98 28.01 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -147.04 135.25 21.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.573 HD22 HD11 ' A' ' 93' ' ' LEU . 18.3 tp -135.43 140.37 44.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -136.49 135.03 38.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 48' ' ' VAL . 62.7 t -139.51 140.41 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.154 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.89 155.43 9.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -70.66 132.06 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 59' ' ' LEU . 6.3 tmtm? -31.61 -72.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -78.74 58.42 4.21 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 3.7 mt-30 -175.3 165.1 2.1 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.44 69.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 109.07 2.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.313 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 49.7 t -56.98 -31.5 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -128.11 107.76 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -133.33 102.85 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -173.68 160.83 31.18 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.864 ' O ' HG23 ' A' ' 107' ' ' THR . 19.3 tt0 -82.36 125.52 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.876 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.39 146.4 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -64.5 -35.48 81.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -140.66 170.34 15.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 7.8 mt-10 -70.13 146.05 51.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.618 HG21 HD22 ' A' ' 93' ' ' LEU . 10.3 m -139.26 126.04 24.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -49.23 90.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.4 p -67.16 -42.92 88.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 76' ' ' VAL . 14.9 mt-10 -53.12 -19.03 2.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.23 -31.7 7.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.8 m -52.18 153.48 2.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -171.84 150.44 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.654 ' CE3' HG13 ' A' ' 89' ' ' VAL . 50.0 p-90 -124.08 158.03 33.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 82' ' ' LEU . 4.4 pp -144.37 154.02 42.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 21.9 mt -91.65 117.69 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -91.96 133.56 35.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.432 ' HB3' ' CD ' ' A' ' 87' ' ' LYS . 2.7 t70 43.48 35.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.3 24.99 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.78 ' HG3' HG23 ' A' ' 88' ' ' VAL . 4.8 ptmt -126.74 -34.71 2.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.78 HG23 ' HG3' ' A' ' 87' ' ' LYS . 66.9 t -115.77 158.32 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.654 HG13 ' CE3' ' A' ' 81' ' ' TRP . 60.2 t -127.56 93.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.2 p -80.17 139.04 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 81' ' ' TRP . 21.6 t -125.12 114.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -85.76 123.23 30.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 74' ' ' VAL . 61.9 mt -115.13 114.24 25.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -83.42 125.0 31.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -83.67 121.84 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG22 ' ND2' ' A' ' 97' ' ' ASN . 41.2 mm -44.12 -36.47 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.42 ' ND2' HG22 ' A' ' 96' ' ' ILE . 4.6 m-80 -120.75 121.66 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -74.89 -9.63 58.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.9 mmt -106.76 35.86 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -129.93 143.2 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.518 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 33.7 m95 -111.05 144.26 40.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.432 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 13.8 m0 -104.72 158.12 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -119.48 -8.16 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.603 HH21 HG22 ' A' ' 107' ' ' THR . 34.6 ptt180 -171.73 138.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' OD2' ' A' ' 109' ' ' ASP . 10.0 tp -52.26 -62.39 1.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.96 -177.66 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.864 HG23 ' O ' ' A' ' 69' ' ' GLU . 56.6 p -76.51 -19.88 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.2 m -87.59 -5.06 58.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.481 ' OD2' HD23 ' A' ' 105' ' ' LEU . 8.0 m-20 -103.33 158.17 32.34 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.62 0.724 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.92 11.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.685 2.257 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.465 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 4.1 mp0 -108.26 166.01 11.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.3 pt -139.24 124.42 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -49.53 96.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 65.6 p -64.64 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -65.04 -57.91 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.2 m 62.3 42.12 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.01 179.1 27.76 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 156.07 64.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.714 2.276 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -106.35 90.99 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.3 m 52.33 43.56 30.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -94.48 105.87 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.865 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -77.82 121.44 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.92 149.2 5.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -125.73 -50.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -56.19 -44.14 79.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.28 149.63 21.21 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -130.64 151.01 78.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.718 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 179.71 3.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.671 2.248 . . . . 0.0 112.315 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -142.0 -175.1 4.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.4 mt -76.54 48.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.96 32.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 46.54 40.06 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.24 -139.78 5.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.48 120.22 7.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.312 . . . . 0.0 111.087 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.45 107.6 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.0 OUTLIER -106.53 151.87 40.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -18.35 37.07 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 0.0 112.386 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -92.84 -30.81 15.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.3 p90 -174.19 160.26 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.89 127.5 53.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 19.5 p-90 -135.04 135.42 41.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.4 p -118.05 159.58 22.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.709 ' NE2' HD11 ' A' ' 112' ' ' ILE . 6.7 pt20 -135.79 135.65 40.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 27' ' ' ALA . 56.6 p -133.89 144.46 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.4 mt -36.16 -29.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -77.24 -67.52 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.81 175.99 11.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.577 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -113.25 138.16 50.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -114.86 155.95 25.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD12 ' H ' ' A' ' 32' ' ' ALA . 4.2 tp -146.86 143.83 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.501 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.24 108.38 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.974 HG11 HG11 ' A' ' 65' ' ' VAL . 87.0 t -104.94 103.59 42.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.099 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo -69.77 121.94 8.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.652 2.235 . . . . 0.0 112.34 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 37' ' ' VAL . 27.0 m-85 -106.22 113.14 26.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -62.84 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.529 HG11 HD21 ' A' ' 41' ' ' LEU . 27.9 m -127.08 148.52 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -105.0 22.6 15.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -146.47 -175.26 4.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 40' ' ' ARG . 0.3 OUTLIER -89.48 129.85 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.529 HD21 HG11 ' A' ' 37' ' ' VAL . 74.1 mt -85.62 131.56 34.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ASP . 23.5 mmmt -98.97 139.8 34.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.2 -39.04 1.46 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -70.9 -38.1 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.76 0.314 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.7 m-20 -58.04 -41.25 82.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.696 HG12 HD23 ' A' ' 59' ' ' LEU . 35.0 m -93.02 154.14 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.0 t -125.68 106.88 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 57' ' ' VAL . 75.2 t -122.13 113.38 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -106.12 112.94 26.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.544 HG22 HG23 ' A' ' 76' ' ' VAL . 79.3 mt -106.83 118.21 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -121.09 176.57 5.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -57.23 -51.02 71.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 ttp-105 -131.28 40.3 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.478 ' N ' HD12 ' A' ' 70' ' ' LEU . 2.2 t-160 -162.27 125.4 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD22 HD11 ' A' ' 93' ' ' LEU . 34.4 tp -124.28 141.92 51.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' H ' HD12 ' A' ' 55' ' ' LEU . 30.7 ttt180 -140.18 142.44 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 48' ' ' VAL . 98.1 t -148.69 142.28 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.09 -152.11 17.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.696 HD23 HG12 ' A' ' 46' ' ' VAL . 6.1 mt -132.2 141.55 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -40.93 135.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.26 -57.95 2.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -61.33 161.71 17.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.598 0.713 . . . . 0.0 110.932 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.08 52.75 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 112.62 3.13 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.974 HG11 HG11 ' A' ' 33' ' ' VAL . 9.9 p -55.62 -33.99 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.737 HG23 HG13 ' A' ' 65' ' ' VAL . 61.1 t -129.23 118.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -154.73 117.46 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.12 160.22 20.2 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -64.3 133.03 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 54' ' ' HIS . 28.3 mt -71.88 133.74 45.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -42.4 -48.03 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -138.93 178.49 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -68.7 152.02 45.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 74' ' ' VAL . 22.8 m -146.72 121.03 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -43.51 95.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG23 HG22 ' A' ' 50' ' ' ILE . 7.5 p -73.98 -37.94 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.43 -23.82 62.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -105.17 -39.44 6.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.962 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.6 m -49.71 153.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -168.13 173.46 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -141.34 171.54 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.8 pp -158.93 146.01 17.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.508 HD13 ' O ' ' A' ' 41' ' ' LEU . 50.3 mt -81.68 125.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -101.72 128.09 48.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 87' ' ' LYS . 15.7 m-20 42.57 37.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.56 27.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.531 ' HG3' HG23 ' A' ' 88' ' ' VAL . 9.5 ptpt -128.8 -27.82 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.531 HG23 ' HG3' ' A' ' 87' ' ' LYS . 28.9 t -125.4 158.05 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.486 ' N ' HG12 ' A' ' 88' ' ' VAL . 69.0 t -125.38 100.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.2 p -87.1 137.93 31.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.462 ' HB ' HD23 ' A' ' 31' ' ' LEU . 58.9 t -129.42 116.07 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 2.1 t60 -89.06 123.2 33.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.653 HD11 HD22 ' A' ' 55' ' ' LEU . 35.0 mt -112.62 117.41 32.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.29 124.64 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.4 mttt -83.19 109.1 16.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 95' ' ' LYS . 35.9 mm -33.89 -43.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -116.89 116.38 27.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . 27.3 mmtp -69.06 -18.26 63.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.5 mmt -95.98 32.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -136.18 144.27 44.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.521 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 64.8 m95 -100.97 176.64 5.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.577 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 5.7 m95 -130.49 138.34 50.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -86.75 -24.41 25.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.452 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 31.1 ptt180 -174.91 170.28 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.455 ' HG ' HG13 ' A' ' 106' ' ' VAL . 58.6 tp -72.91 -58.36 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.455 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.6 m -133.75 145.29 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 40.1 p -39.32 -41.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.5 t -56.27 -41.93 76.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 106' ' ' VAL . 1.1 m-20 -65.58 159.87 64.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.657 0.741 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 168.83 20.32 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.67 2.247 . . . . 0.0 112.369 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -103.16 150.58 23.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.709 HD11 ' NE2' ' A' ' 24' ' ' GLN . 15.6 pt -133.77 136.09 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -54.56 119.45 5.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 112' ' ' ILE . 72.7 p -110.52 129.18 55.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.32 153.03 23.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.8 t -132.83 124.48 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -137.42 144.33 15.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 119' ' ' SER . 53.8 Cg_endo -69.8 3.14 2.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 118' ' ' PRO . 2.9 t -33.5 134.61 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 119' ' ' SER . 26.6 t -36.66 124.61 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.812 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -135.66 157.54 46.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.856 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 p -70.23 170.13 12.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.72 -45.17 45.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -112.56 86.57 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -57.08 -48.93 77.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.61 124.53 6.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -101.92 140.28 21.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 97.99 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.742 2.294 . . . . 0.0 112.342 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -65.57 -174.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.55 43.61 0.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.31 32.69 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 47.34 32.55 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.18 -141.1 5.81 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.07 122.81 10.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -85.92 101.14 12.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.93 151.85 37.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.83 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -89.56 -33.07 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.692 ' CE2' HG12 ' A' ' 65' ' ' VAL . 3.3 p90 -170.4 162.15 8.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -120.08 130.71 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 -139.73 138.56 36.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 73.7 p -117.86 172.02 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.2 pt20 -151.56 138.64 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.425 ' HA ' ' CZ3' ' A' ' 101' ' ' TRP . 45.7 p -136.5 -175.94 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.504 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.7 mt -82.47 23.44 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 -47.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -167.06 173.81 8.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -110.96 135.89 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -111.94 135.65 52.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 32' ' ' ALA . 7.7 tp -133.54 141.31 47.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.511 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -141.66 112.62 7.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.422 ' HA ' ' HD2' ' A' ' 34' ' ' PRO . 94.3 t -102.62 98.78 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 111.084 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 33' ' ' VAL . 53.4 Cg_endo -69.76 127.21 14.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.405 ' HB3' HG13 ' A' ' 37' ' ' VAL . 41.2 m-85 -112.43 152.39 28.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -92.61 46.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.579 HG11 HD21 ' A' ' 41' ' ' LEU . 21.1 m -90.05 147.3 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.75 18.99 20.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -145.37 -175.15 4.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -87.44 129.24 35.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 83' ' ' ILE . 87.2 mt -90.06 130.43 36.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.5 mmmt -100.53 144.37 29.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.93 -37.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -75.03 -37.98 61.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 42' ' ' LYS . 3.1 m-20 -57.4 -41.0 79.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 HG12 HD23 ' A' ' 59' ' ' LEU . 35.7 m -92.42 167.39 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.52 111.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.7 t -129.39 119.56 48.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -109.22 109.24 20.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.431 HG22 HG23 ' A' ' 76' ' ' VAL . 78.3 mt -100.56 118.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -122.38 173.48 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -55.66 -55.68 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.0 ttp-105 -124.59 39.17 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -161.66 137.4 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.799 HD22 HD11 ' A' ' 93' ' ' LEU . 22.4 tp -136.75 146.14 45.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.66 ' H ' HD12 ' A' ' 55' ' ' LEU . 15.9 ttm180 -139.72 139.03 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -144.12 131.03 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.76 -163.17 34.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.44 HD23 HG12 ' A' ' 46' ' ' VAL . 4.5 mt -115.7 141.72 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.2 OUTLIER -46.67 141.18 3.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 75.72 -48.44 2.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.421 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.42 162.4 74.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.573 0.701 . . . . 0.0 110.9 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.69 45.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 119.92 6.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.692 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.05 -41.96 93.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.531 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 79.9 t -117.57 107.64 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -141.28 106.4 4.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.23 155.08 18.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.459 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.14 126.39 28.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.47 142.12 55.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -56.47 -39.47 73.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 102' ' ' TRP . 10.0 t-20 -140.28 174.58 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -72.4 148.77 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.582 HG21 HD22 ' A' ' 93' ' ' LEU . 19.5 m -141.13 122.41 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.2 95.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.431 HG23 HG22 ' A' ' 50' ' ' ILE . 6.6 p -71.67 -39.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -57.35 -24.39 54.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -103.47 -40.15 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -46.98 148.24 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -162.46 149.06 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.48 ' CB ' HG22 ' A' ' 91' ' ' VAL . 55.2 p-90 -121.4 169.94 10.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.3 pp -158.65 163.46 36.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.771 HD13 ' O ' ' A' ' 41' ' ' LEU . 43.2 mt -96.6 124.95 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -99.6 124.68 45.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 87' ' ' LYS . 37.2 m-20 43.3 41.72 3.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.475 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 33.84 34.21 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.703 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.5 ptpt -134.95 -34.21 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.703 HG23 ' HG3' ' A' ' 87' ' ' LYS . 29.9 t -119.21 155.66 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.441 ' N ' HG12 ' A' ' 88' ' ' VAL . 55.5 t -121.62 101.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.6 p -89.91 144.03 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.48 HG22 ' CB ' ' A' ' 81' ' ' TRP . 59.8 t -134.06 112.83 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -83.54 118.08 23.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.799 HD11 HD22 ' A' ' 55' ' ' LEU . 36.6 mt -111.08 119.53 39.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -84.51 125.12 32.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -82.22 115.88 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.62 -41.96 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 100' ' ' GLU . 44.3 m-80 -115.33 79.53 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' LEU . 35.6 mttm -43.31 -28.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.6 mmt -83.76 24.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' ASN . 3.3 tp10 -131.05 143.21 50.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.504 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 73.9 m95 -97.6 168.22 10.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.452 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.8 m0 -124.29 138.89 54.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -87.74 -18.72 28.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -174.2 165.68 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.688 ' HG ' HG13 ' A' ' 106' ' ' VAL . 30.3 tp -70.13 -56.33 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.688 HG13 ' HG ' ' A' ' 105' ' ' LEU . 17.2 m -136.0 152.82 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.2 p -45.96 -31.32 2.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -68.3 -40.32 81.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.46 ' H ' HG23 ' A' ' 106' ' ' VAL . 3.8 m-20 -64.37 160.5 50.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.01 22.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.72 2.28 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -101.0 141.44 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.1 pt -131.88 134.89 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -64.91 120.34 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 60.7 p -91.8 -43.39 9.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -41.47 140.94 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.3 t -159.22 166.8 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 174.75 -167.12 39.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -2.57 10.38 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.5 m -45.68 114.24 0.73 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.1 t -76.51 145.96 38.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.469 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.9 t -35.68 -53.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -116.85 133.91 55.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.89 91.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -155.38 150.98 27.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -72.52 -61.49 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.84 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.57 152.34 55.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.6 6.52 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -91.35 -176.6 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.735 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -55.98 -41.25 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.99 35.64 2.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 41.99 34.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.98 -145.82 15.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.57 120.61 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -83.15 114.4 21.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD12 ' CD1' ' A' ' 20' ' ' TYR . 2.2 mt -113.81 153.43 46.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.49 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.293 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -93.16 -32.48 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.686 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.1 p90 -172.36 160.05 4.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -119.0 137.14 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -142.93 143.93 32.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.8 p -121.9 154.93 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 15.7 pt20 -131.34 141.03 49.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.0 p -137.28 179.8 6.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 17.1 mt -82.26 23.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.79 -44.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -168.67 173.7 7.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tt -116.1 138.56 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -113.24 146.11 39.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -142.28 137.99 31.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.11 112.5 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.2 t -105.94 105.77 54.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.719 . . . . 0.0 111.101 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.1 Cg_endo -69.69 122.8 9.49 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 37' ' ' VAL . 29.4 m-85 -109.36 113.92 27.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -62.05 81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.455 HG11 HD21 ' A' ' 41' ' ' LEU . 26.9 m -129.73 146.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -105.55 26.63 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -149.21 -178.53 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -89.54 125.92 35.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 83' ' ' ILE . 87.6 mt -86.37 134.08 33.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.2 mmmt -101.16 144.28 30.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.99 -34.91 0.88 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -74.5 -39.22 62.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' LYS . 1.3 m-20 -57.35 -41.13 79.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.82 HG12 HD23 ' A' ' 59' ' ' LEU . 34.5 m -93.78 157.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -127.41 109.3 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.57 109.66 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -102.68 113.3 26.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.579 HG22 HG23 ' A' ' 76' ' ' VAL . 79.6 mt -104.67 123.23 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -124.4 173.53 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -57.15 -56.24 24.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -122.21 37.86 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.481 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.7 t60 -163.35 144.48 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.802 HD22 HD11 ' A' ' 93' ' ' LEU . 18.0 tp -141.63 147.02 36.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -139.97 141.64 36.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -145.98 140.69 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.43 -151.43 19.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.82 HD23 HG12 ' A' ' 46' ' ' VAL . 6.3 mt -133.03 142.64 48.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -48.15 141.66 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -51.37 2.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.31 161.94 76.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.54 40.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.723 2.282 . . . . 0.0 112.339 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.3 6.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.359 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG12 ' HE2' ' A' ' 20' ' ' TYR . 51.8 t -59.39 -44.91 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.6 t -114.16 122.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 1.5 t0 -157.7 112.71 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.86 151.35 8.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -56.68 130.62 46.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 54' ' ' HIS . 31.2 mt -66.5 138.24 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -50.63 -42.35 56.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 19.2 t-20 -142.99 166.42 24.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 72' ' ' ASN . 9.4 mt-10 -60.77 151.59 29.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.55 HG21 HD22 ' A' ' 93' ' ' LEU . 23.3 m -145.93 122.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -44.59 95.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.579 HG23 HG22 ' A' ' 50' ' ' ILE . 7.5 p -73.9 -35.79 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.41 -25.99 66.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.82 -39.27 6.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -48.92 153.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -166.11 172.4 11.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.465 ' CB ' HG22 ' A' ' 91' ' ' VAL . 44.1 p-90 -141.42 171.8 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.635 HD11 ' OE2' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -163.25 146.97 10.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 41' ' ' LEU . 48.3 mt -83.9 125.26 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.635 ' OE2' HD11 ' A' ' 82' ' ' LEU . 26.0 mm-40 -100.55 128.95 46.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.422 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 1.0 OUTLIER 44.65 36.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.49 31.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 88' ' ' VAL . 12.4 ptmt -134.39 -32.64 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.832 0.348 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.581 HG23 ' HG3' ' A' ' 87' ' ' LYS . 53.9 t -118.85 153.89 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.418 ' N ' HG12 ' A' ' 88' ' ' VAL . 60.4 t -120.26 100.2 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.8 p -88.36 142.06 28.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG22 ' CB ' ' A' ' 81' ' ' TRP . 55.1 t -134.92 114.89 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 5.0 t60 -86.49 119.73 27.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.802 HD11 HD22 ' A' ' 55' ' ' LEU . 52.8 mt -111.19 119.43 38.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -86.08 124.54 32.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HD3' ' CD1' ' A' ' 102' ' ' TRP . 66.8 mttt -81.29 109.39 15.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.7 mm -35.22 -45.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -114.88 85.98 2.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 54.2 mttt -45.71 -23.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 33.7 mmt -87.48 30.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.2 tp10 -136.15 145.41 45.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.563 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 64.2 m95 -101.62 163.69 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.5 m0 -118.85 140.57 49.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -87.89 -20.38 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -174.84 166.19 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.598 ' HG ' HG13 ' A' ' 106' ' ' VAL . 50.7 tp -67.9 -63.04 1.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.598 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.6 m -133.01 145.36 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 106' ' ' VAL . 76.4 p -36.05 -34.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 106' ' ' VAL . 4.1 t -61.93 -49.23 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 106' ' ' VAL . 18.5 m-20 -60.44 158.94 26.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.559 0.695 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 168.27 22.04 Favored 'Trans proline' 0 N--CA 1.466 -0.121 0 C-N-CA 122.709 2.273 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -101.85 142.11 33.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.7 pt -123.77 136.31 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -60.3 114.27 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.7 p -89.35 132.9 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -82.76 43.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.0 t -98.36 161.25 13.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 146.49 -115.56 0.8 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.9 24.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.4 m -159.65 175.38 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -72.94 121.73 20.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.46 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -133.17 -58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.838 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -79.1 89.25 4.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.823 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.29 -56.92 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -85.66 -44.49 12.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -109.74 90.25 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.49 77.59 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -126.87 146.59 57.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 168.18 22.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.2 p30 -131.76 -176.09 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.2 -46.84 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -79.14 42.84 2.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.507 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 12' ' ' GLY . 71.5 m-80 34.26 37.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.9 -142.74 10.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.89 120.12 7.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.0 106.68 15.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.65 154.43 41.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -21.67 33.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.39 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -90.13 -33.63 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.607 ' CD1' HD12 ' A' ' 17' ' ' LEU . 6.5 p90 -175.14 154.68 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -115.33 137.19 52.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.694 ' CG ' HD12 ' A' ' 105' ' ' LEU . 19.2 p-90 -143.21 145.11 32.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.3 p -121.93 159.06 27.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.863 HE22 HD11 ' A' ' 112' ' ' ILE . 6.7 pt20 -132.47 134.38 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 27' ' ' ALA . 46.6 p -133.8 146.97 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD21 ' NE1' ' A' ' 101' ' ' TRP . 18.7 mt -40.19 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB3' ' OE2' ' A' ' 28' ' ' GLU . . . -83.17 -67.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' OE2' ' HB3' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -146.27 -177.93 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.477 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 2.5 tt -119.2 127.92 53.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -102.47 146.36 28.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 32' ' ' ALA . 2.9 tp -137.83 145.97 42.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.626 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -141.76 114.56 8.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.075 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.865 HG11 HG11 ' A' ' 65' ' ' VAL . 97.2 t -110.36 96.79 28.4 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.563 0.697 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 123.66 10.34 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -107.73 142.91 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -82.76 54.41 2.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.8 HG11 HD21 ' A' ' 41' ' ' LEU . 19.8 m -100.17 152.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -112.6 18.57 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -141.4 -178.34 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.467 ' HE ' ' N ' ' A' ' 86' ' ' GLY . 6.4 tpt180 -85.76 114.07 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.8 HD21 HG11 ' A' ' 37' ' ' VAL . 75.4 mt -67.96 138.29 55.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' LYS . 29.8 mmtt -111.09 140.17 45.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.46 -27.21 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.449 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 42' ' ' LYS . 18.1 pttp -81.79 -43.06 18.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 42' ' ' LYS . 4.3 m-20 -57.46 -38.65 74.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.663 HG12 HD23 ' A' ' 59' ' ' LEU . 25.5 m -91.25 160.01 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -132.05 103.24 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG22 HG13 ' A' ' 57' ' ' VAL . 76.7 t -124.15 115.95 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -109.03 114.31 27.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.616 HG21 ' HB3' ' A' ' 79' ' ' SER . 82.5 mt -106.92 118.63 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -120.96 -175.6 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -64.54 -51.5 62.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -129.17 36.75 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -159.72 138.34 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD22 HD11 ' A' ' 93' ' ' LEU . 10.7 tp -140.21 145.76 37.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -140.14 150.77 44.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HG22 ' A' ' 48' ' ' VAL . 59.1 t -153.21 143.72 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.12 -157.46 29.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 46' ' ' VAL . 10.5 mt -128.7 135.41 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.899 0.381 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 59' ' ' LEU . 21.1 tptt -35.22 137.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.36 -55.47 2.83 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.9 161.62 28.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.647 0.737 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.8 61.31 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.08 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.049 HG13 HG23 ' A' ' 66' ' ' VAL . 10.9 p -61.04 -29.87 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.049 HG23 HG13 ' A' ' 65' ' ' VAL . 27.4 t -127.42 119.68 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -153.19 112.99 3.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.53 161.64 26.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 107' ' ' THR . 18.5 tt0 -75.61 124.38 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.421 HD13 ' CG2' ' A' ' 74' ' ' VAL . 52.2 mt -55.33 131.02 44.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -45.04 -38.59 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -145.08 171.32 14.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -67.56 139.88 56.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 74' ' ' VAL . 21.9 m -133.54 127.63 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -47.55 93.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 74' ' ' VAL . 3.7 p -67.7 -40.91 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -58.16 -21.23 46.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -105.33 -34.41 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.616 ' HB3' HG21 ' A' ' 50' ' ' ILE . 3.8 m -50.76 147.68 4.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 m -165.23 160.45 18.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.519 ' HB3' HG13 ' A' ' 91' ' ' VAL . 59.7 p-90 -138.26 171.2 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 83' ' ' ILE . 2.3 pp -159.94 160.05 33.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.783 HD13 ' O ' ' A' ' 41' ' ' LEU . 63.8 mt -85.89 138.01 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.455 ' OE2' HG21 ' A' ' 90' ' ' THR . 10.3 mt-10 -116.98 116.76 28.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.467 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 7.6 t70 59.73 25.04 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 48.37 17.03 0.62 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HA ' ' CG2' ' A' ' 37' ' ' VAL . 1.5 ptpt -129.97 -11.71 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 89' ' ' VAL . 41.5 t -131.57 159.33 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.51 ' N ' HG12 ' A' ' 88' ' ' VAL . 50.8 t -128.91 105.47 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.455 HG21 ' OE2' ' A' ' 84' ' ' GLU . 44.9 p -95.01 131.78 40.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.534 ' HB ' HD23 ' A' ' 31' ' ' LEU . 23.3 t -121.59 122.4 66.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.406 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.9 t60 -94.63 114.65 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 HD22 ' A' ' 55' ' ' LEU . 63.9 mt -102.9 115.62 30.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -83.34 123.82 30.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.22 122.37 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.6 mm -44.18 -37.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -123.69 121.71 36.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -70.99 -10.03 59.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 30.5 mmt -103.74 35.33 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -135.16 146.26 48.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.517 ' NE1' HD21 ' A' ' 26' ' ' LEU . 55.7 m95 -109.84 160.69 16.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.496 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 9.7 m0 -118.38 133.9 55.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.03 -12.76 21.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.458 HH21 HG22 ' A' ' 107' ' ' THR . 32.3 ptt180 -168.82 126.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.785 HD23 HG13 ' A' ' 106' ' ' VAL . 6.5 tt -45.22 -49.91 11.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.785 HG13 HD23 ' A' ' 105' ' ' LEU . 3.2 m -145.62 163.67 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.143 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 69' ' ' GLU . 40.0 p -58.74 -12.6 4.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.7 m -100.48 35.4 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -141.17 152.05 63.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' O ' ' OD1' ' A' ' 109' ' ' ASP . 53.9 Cg_endo -69.81 138.96 38.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -69.58 158.61 34.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.863 HD11 HE22 ' A' ' 24' ' ' GLN . 9.5 pt -135.9 137.83 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -64.23 93.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.7 p -82.98 129.17 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -82.77 -60.89 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.6 t -61.75 153.88 27.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -166.35 -76.1 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.66 175.22 8.32 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.5 m -82.41 105.59 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.1 p -62.43 121.73 13.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.505 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -103.97 -59.57 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -108.75 139.36 43.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.54 72.37 1.18 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 m -72.22 123.95 24.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -144.02 117.8 9.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.27 40.29 1.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.76 151.77 47.66 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 156.58 62.84 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.695 ' OD1' HG22 ' A' ' 23' ' ' THR . 0.6 OUTLIER -105.61 -71.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 11' ' ' LEU . 4.6 tt -135.01 -41.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -104.43 49.79 0.9 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.458 ' O ' HD12 ' A' ' 112' ' ' ILE . 35.5 m-80 46.77 31.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.915 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.677 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -90.72 -137.16 6.96 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.83 125.01 10.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.432 ' CG ' ' HB3' ' A' ' 10' ' ' ASN . 7.2 m-20 -87.76 98.9 11.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.719 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -102.59 153.9 37.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -19.48 36.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.399 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -92.22 -31.92 15.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.719 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.0 p90 -174.99 159.67 2.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -118.69 136.62 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -136.9 152.06 49.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.695 HG22 ' OD1' ' A' ' 10' ' ' ASN . 74.4 p -123.05 164.38 18.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 16.4 pt20 -143.95 138.41 28.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.2 p -136.59 179.95 6.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.543 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 21.1 mt -82.76 23.24 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.77 -43.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -168.64 173.39 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.2 tt -113.3 142.47 45.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -119.02 144.33 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' H ' ' A' ' 32' ' ' ALA . 5.3 tp -137.5 143.4 41.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.404 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -140.63 110.59 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.044 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.4 t -104.96 102.73 37.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.708 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HA ' HG22 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.7 130.96 20.32 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.403 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB3' HG13 ' A' ' 37' ' ' VAL . 38.6 m-85 -114.58 133.79 55.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -76.49 48.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG11 HD21 ' A' ' 41' ' ' LEU . 33.4 m -95.64 147.53 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -109.63 26.23 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -148.36 -177.18 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -90.19 122.93 33.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.506 HD21 HG11 ' A' ' 37' ' ' VAL . 92.8 mt -78.74 146.21 34.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 45' ' ' ASP . 38.0 mmtt -118.85 141.05 48.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' LYS . . . -36.98 -40.55 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -73.18 -38.11 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 42' ' ' LYS . 8.8 t0 -58.63 -40.29 82.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.806 HG12 HD23 ' A' ' 59' ' ' LEU . 34.3 m -95.72 163.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.2 t -133.35 104.7 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' HB ' ' CE2' ' A' ' 81' ' ' TRP . 96.5 t -122.65 116.96 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -111.58 109.23 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.421 HG22 HG23 ' A' ' 76' ' ' VAL . 54.7 mt -99.54 126.0 53.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -126.3 176.25 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -56.89 -58.18 9.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -122.04 34.67 5.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -156.69 142.24 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 93' ' ' LEU . 28.2 tp -142.29 141.32 32.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -135.32 136.8 41.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.8 t -140.71 143.49 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 162.24 -163.77 35.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 46' ' ' VAL . 11.9 mt -117.26 146.3 43.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.959 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.429 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 6.6 tmtt? -47.79 133.57 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 80.97 -57.31 4.84 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.437 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -63.49 162.25 27.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.36 37.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 116.78 4.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.394 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.66 -43.05 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG22 ' CE2' ' A' ' 20' ' ' TYR . 46.3 t -110.87 116.49 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -155.04 106.91 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.88 146.34 6.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -53.72 127.17 24.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.3 148.4 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -57.34 -44.94 84.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -138.45 177.89 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -74.67 141.15 44.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.736 HG21 HD22 ' A' ' 93' ' ' LEU . 22.7 m -134.94 125.97 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -45.73 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -71.95 -32.07 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.64 -25.98 67.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -104.4 -39.13 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -43.5 148.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -165.64 154.36 11.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.43 ' HB3' HG13 ' A' ' 91' ' ' VAL . 52.4 p-90 -125.91 166.84 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.8 pp -153.02 163.43 39.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 82' ' ' LEU . 69.5 mt -95.31 129.73 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -105.15 120.82 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 87' ' ' LYS . 4.1 m-20 46.74 37.46 4.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 38.53 25.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' HG3' HG23 ' A' ' 88' ' ' VAL . 8.9 ptpt -128.14 -27.69 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.521 HG23 ' HG3' ' A' ' 87' ' ' LYS . 57.4 t -124.08 159.59 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.52 ' N ' HG12 ' A' ' 88' ' ' VAL . 56.0 t -127.39 102.6 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -90.95 142.09 28.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 81' ' ' TRP . 45.1 t -130.51 113.01 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 5.4 t60 -85.17 122.97 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.815 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.779 HD11 HD22 ' A' ' 55' ' ' LEU . 58.5 mt -116.16 119.92 37.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -83.68 121.45 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -76.72 115.9 16.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 mm -44.23 -41.59 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 100' ' ' GLU . 49.2 m-20 -116.47 81.84 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -43.22 -28.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.05 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 4.0 tp10 -133.95 145.25 49.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.543 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 70.6 m95 -101.99 167.8 9.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.489 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 8.7 m0 -122.49 140.86 52.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -93.0 -15.47 26.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -170.62 169.88 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' HG ' HG13 ' A' ' 106' ' ' VAL . 51.6 tp -79.1 -50.17 11.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.516 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.5 m -136.8 -178.79 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 44.7 p -82.66 28.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.9 t -131.28 -43.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -65.3 154.39 87.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 139.25 39.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.66 162.13 24.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 14' ' ' GLY . 7.6 pt -135.1 133.92 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -52.67 110.35 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 62.7 p -87.24 -47.47 8.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.0 tttm 49.87 42.98 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t -131.0 128.81 41.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.29 98.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -15.2 36.96 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.1 p -76.14 112.31 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.0 t -91.58 153.9 19.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -134.47 127.89 32.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -61.24 162.52 7.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.41 -148.9 17.34 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 58.78 34.36 23.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -148.5 159.05 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.62 34.41 78.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' HD2' ' C ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -67.9 152.4 96.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' C ' ' HD2' ' A' ' 8' ' ' LYS . 53.5 Cg_endo -69.73 89.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.328 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 10' ' ' ASN . 20.2 p30 -62.72 176.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 tp -46.49 -53.01 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -76.67 45.15 2.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 37.31 28.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -101.65 179.94 27.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -118.31 119.99 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -78.12 107.79 10.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -108.18 153.23 41.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.914 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -22.95 31.64 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.728 2.285 . . . . 0.0 112.361 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -88.44 -34.2 17.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.619 ' CD1' HD12 ' A' ' 17' ' ' LEU . 11.2 p90 -171.96 157.32 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -118.81 137.01 53.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 68.6 p-90 -141.51 151.51 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -125.38 168.46 13.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 102' ' ' TRP . 21.7 pt20 -143.14 134.54 26.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 27' ' ' ALA . 52.6 p -135.04 144.52 47.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.614 HD21 ' CD1' ' A' ' 101' ' ' TRP . 14.3 mt -44.0 -22.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -84.42 -57.43 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -158.45 174.65 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.743 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.5 tt -111.54 162.48 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.743 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.7 t70 -145.8 144.88 30.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.453 HD22 HD21 ' A' ' 105' ' ' LEU . 5.3 tp -135.8 132.27 36.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -123.68 118.24 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.543 ' CG1' ' CZ ' ' A' ' 35' ' ' PHE . 82.8 t -111.33 98.56 40.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.89 9.55 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.604 ' CE1' HD21 ' A' ' 59' ' ' LEU . 86.6 m-85 -113.67 130.49 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -77.14 62.32 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.735 HG11 HD21 ' A' ' 41' ' ' LEU . 30.4 m -94.47 143.76 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 m -98.55 19.86 13.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -148.91 179.43 7.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -82.62 125.69 31.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.735 HD21 HG11 ' A' ' 37' ' ' VAL . 80.1 mt -81.1 133.45 35.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 45' ' ' ASP . 19.0 mttt -111.94 142.24 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' N ' HD11 ' A' ' 83' ' ' ILE . . . -39.0 -40.74 1.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -71.45 -34.12 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 42' ' ' LYS . 77.6 m-20 -61.01 -41.56 96.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG23 ' CH2' ' A' ' 81' ' ' TRP . 32.7 m -97.25 147.46 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 81.2 t -117.64 99.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 57' ' ' VAL . 25.5 t -114.05 105.16 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.08 124.59 38.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.61 HG21 ' CB ' ' A' ' 79' ' ' SER . 76.4 mt -116.67 127.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -127.76 -179.48 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' CG ' ' OE1' ' A' ' 73' ' ' GLU . 8.0 tpp85 -51.41 -57.9 7.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 70' ' ' LEU . 10.3 ttt180 -129.13 20.65 5.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -131.4 133.72 45.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 93' ' ' LEU . 38.7 tp -134.48 140.25 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -139.25 131.78 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG22 HG22 ' A' ' 48' ' ' VAL . 97.7 t -134.28 143.29 38.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.3 173.96 35.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.2 OUTLIER -85.19 157.76 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 110.923 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -57.18 125.16 21.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.65 -51.35 4.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.83 162.23 12.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.617 0.722 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 142.6 48.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 122.66 9.34 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.343 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.0 t -67.73 -25.59 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.2 t -130.29 109.09 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 0.8 OUTLIER -140.53 111.43 7.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.18 160.42 24.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 107' ' ' THR . 33.3 tt0 -72.2 116.07 12.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.6 mt -43.76 161.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.66 -43.35 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.443 ' CG ' ' OE2' ' A' ' 100' ' ' GLU . 36.3 t30 -139.32 170.36 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' OE1' ' CG ' ' A' ' 52' ' ' ARG . 10.8 mt-10 -67.63 134.92 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 74' ' ' VAL . 22.5 m -130.64 121.85 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -42.45 91.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 74' ' ' VAL . 5.2 p -66.22 -40.62 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.45 -20.66 3.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -110.3 -37.96 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.61 ' CB ' HG21 ' A' ' 50' ' ' ILE . 35.9 m -40.83 150.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.7 p -168.38 179.93 4.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.552 ' CH2' HG23 ' A' ' 46' ' ' VAL . 46.5 p-90 -152.42 171.24 18.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 82' ' ' LEU . 3.6 pp -158.27 142.81 16.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.58 HG21 ' HB2' ' A' ' 41' ' ' LEU . 14.4 mt -80.6 125.02 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.097 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' GLY . 7.4 mt-10 -102.09 144.98 29.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 43.5 t0 40.87 25.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 49.26 16.69 0.89 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.485 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 2.3 ptpt -127.56 -21.37 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.512 HG12 ' N ' ' A' ' 89' ' ' VAL . 36.3 t -120.12 159.46 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.512 ' N ' HG12 ' A' ' 88' ' ' VAL . 57.0 t -130.44 97.84 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.8 p -85.31 135.67 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.4 118.44 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.64 123.31 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.556 HD11 HD22 ' A' ' 55' ' ' LEU . 22.2 mt -113.93 118.75 35.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -83.37 122.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ILE . 81.0 mttt -80.86 114.06 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 95' ' ' LYS . 28.6 mm -36.36 -42.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.124 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -119.81 122.93 42.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.68 -5.62 31.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 25.6 mmt -109.65 35.2 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' CG ' ' A' ' 72' ' ' ASN . 15.7 tt0 -132.46 138.94 47.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.614 ' CD1' HD21 ' A' ' 26' ' ' LEU . 54.1 m95 -107.34 160.05 15.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.59 ' CE3' HD13 ' A' ' 29' ' ' LEU . 11.9 m0 -115.45 150.36 36.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -107.56 -11.2 15.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -174.22 150.71 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.635 ' HG ' HG13 ' A' ' 106' ' ' VAL . 56.4 tp -56.93 -63.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG13 ' HG ' ' A' ' 105' ' ' LEU . 18.4 m -133.52 158.35 42.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 69' ' ' GLU . 40.0 p -52.3 -18.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -95.31 31.11 2.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -137.64 157.01 74.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.567 0.699 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 145.92 58.21 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -83.98 164.94 19.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 114' ' ' THR . 0.7 OUTLIER -137.6 124.88 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.147 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.47 89.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 112' ' ' ILE . 68.3 p -61.0 85.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -45.07 -66.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 t -77.11 124.98 28.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.13 91.69 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.76 26.9 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -51.36 179.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.0 m -83.01 -55.54 4.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -39.04 154.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -99.58 154.62 18.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.96 -134.33 1.75 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -106.04 129.58 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.816 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -113.78 -54.5 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.2 137.43 7.88 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -120.65 152.51 55.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 114.84 3.85 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.649 2.233 . . . . 0.0 112.331 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -85.12 178.19 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -49.37 -43.98 44.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -85.84 43.04 3.2 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 15.2 m-80 38.49 31.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 110.922 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -95.42 -151.49 28.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -148.38 120.73 8.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.89 94.41 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.749 HD12 ' CD1' ' A' ' 20' ' ' TYR . 2.2 mt -93.99 153.58 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -95.16 -30.67 13.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.749 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.4 p90 -173.18 161.02 4.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.67 133.77 55.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -137.9 147.5 44.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.7 p -124.05 166.61 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.78 135.96 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' ALA . 73.0 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 14.6 mt -36.45 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.15 -64.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -151.33 178.88 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 30' ' ' ASP . 2.0 tt -110.91 162.67 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.754 ' N ' HD23 ' A' ' 29' ' ' LEU . 1.0 OUTLIER -141.39 148.72 40.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 32' ' ' ALA . 3.6 tp -141.68 146.9 36.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.619 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.04 115.03 8.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.5 t -111.83 103.26 55.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.62 0.724 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.534 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.8 Cg_endo -69.73 121.9 8.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 0.0 112.363 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 37' ' ' VAL . 40.5 m-85 -108.98 114.39 28.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -61.06 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 35' ' ' PHE . 33.4 m -131.44 144.95 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -104.51 24.68 11.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -149.18 -177.72 5.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -86.7 123.52 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.6 mt -73.62 137.6 44.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.77 134.5 38.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.39 -36.59 4.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.47 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -77.27 -35.82 54.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.68 -42.52 88.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG12 HD23 ' A' ' 59' ' ' LEU . 33.4 m -91.41 148.94 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -115.89 111.88 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 57' ' ' VAL . 53.4 t -127.63 93.65 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -91.4 119.21 31.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.59 HG22 HG23 ' A' ' 76' ' ' VAL . 71.8 mt -111.16 122.23 65.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -122.43 175.17 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -57.81 -58.8 6.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -119.61 37.5 4.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.406 ' N ' HD12 ' A' ' 70' ' ' LEU . 45.7 t-80 -161.4 145.68 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.762 HD22 HD11 ' A' ' 93' ' ' LEU . 23.2 tp -145.11 142.12 29.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -140.34 136.63 33.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.514 HG13 HG22 ' A' ' 48' ' ' VAL . 88.6 t -141.31 141.06 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.74 -143.78 8.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.567 HD23 HG12 ' A' ' 46' ' ' VAL . 11.5 mt -132.25 152.48 51.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.89 0.376 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -57.87 135.62 56.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.05 -46.23 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -72.63 162.99 71.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.923 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 138.91 39.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.17 9.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG12 ' CE2' ' A' ' 20' ' ' TYR . 60.3 t -64.14 -41.32 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG22 ' CZ ' ' A' ' 20' ' ' TYR . 78.7 t -118.67 115.04 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -146.89 110.85 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.27 155.65 13.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -66.1 134.99 53.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 54' ' ' HIS . 27.2 mt -70.57 135.56 48.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 8.7 t80 -44.72 -44.77 9.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -138.77 175.49 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.8 150.57 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.608 HG21 HD22 ' A' ' 93' ' ' LEU . 33.1 m -143.35 121.45 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -42.44 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.59 HG23 HG22 ' A' ' 50' ' ' ILE . 9.5 p -69.5 -33.81 58.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -59.31 -24.72 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -104.34 -39.32 6.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.8 m -42.92 147.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.1 p -166.7 153.58 9.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.475 ' CB ' HG22 ' A' ' 91' ' ' VAL . 29.9 p-90 -122.95 173.09 8.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' C ' HD12 ' A' ' 82' ' ' LEU . 2.2 pp -163.84 142.54 7.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 68.5 mt -80.12 126.19 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -102.26 130.58 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' LYS . 1.6 m-20 43.74 38.51 2.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.432 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 36.39 31.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.473 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.605 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.9 ptpt -133.74 -33.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.605 HG23 ' HG3' ' A' ' 87' ' ' LYS . 77.7 t -116.74 159.37 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.53 ' N ' HG12 ' A' ' 88' ' ' VAL . 76.5 t -127.44 98.4 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.7 p -86.46 141.47 29.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 81' ' ' TRP . 44.4 t -131.99 112.54 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.97 127.21 33.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.762 HD11 HD22 ' A' ' 55' ' ' LEU . 68.8 mt -118.06 118.39 31.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 95' ' ' LYS . 8.3 tp10 -83.32 124.86 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 96' ' ' ILE . 72.9 mttt -81.75 109.91 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.449 ' C ' ' O ' ' A' ' 95' ' ' LYS . 22.9 mm -33.75 -44.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -117.32 120.14 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.3 mmtt -70.4 -22.82 62.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 22.4 mmt -91.47 30.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -133.49 144.56 49.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.534 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -106.43 174.2 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.403 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 7.5 m0 -126.92 143.1 51.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -95.06 -16.77 22.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.2 ptt-85 -174.78 163.91 3.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.832 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.424 ' HG ' HG13 ' A' ' 106' ' ' VAL . 49.3 tp -70.17 -51.63 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.424 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.3 m -137.76 146.45 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 23.1 p -43.63 -42.19 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m -59.63 -35.76 75.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.414 ' H ' HG23 ' A' ' 106' ' ' VAL . 1.0 OUTLIER -70.15 159.83 82.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.567 0.698 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 173.61 10.71 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -102.82 154.12 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 13' ' ' ASN . 8.5 pt -131.6 138.84 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -57.64 99.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.84 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 67.1 p -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -101.66 169.19 8.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 m -116.07 -65.28 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.92 167.91 32.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 87.87 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.2 p -47.79 -44.2 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 24.8 p -132.44 -61.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -62.49 99.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 p -163.09 132.34 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.54 129.3 2.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -109.14 -57.94 2.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -98.05 129.49 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.47 108.82 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -136.16 154.23 77.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.69 13.61 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -99.45 176.15 5.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -47.66 -51.8 20.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -78.07 44.84 2.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 12' ' ' GLY . 34.4 m-80 34.35 47.15 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -111.54 -150.6 11.69 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.16 119.99 9.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.74 112.07 18.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.663 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.3 OUTLIER -113.22 152.43 45.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -19.92 35.35 Favored 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -91.21 -32.18 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.663 ' CD1' HD12 ' A' ' 17' ' ' LEU . 8.0 p90 -174.81 160.34 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -117.35 133.28 56.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.754 ' CG ' HD12 ' A' ' 105' ' ' LEU . 14.3 p-90 -140.97 138.81 34.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -117.84 161.5 19.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.689 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.7 pt20 -140.38 131.06 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.7 p -132.54 145.94 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.2 mt -35.12 -31.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -74.22 -68.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.1 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HG3' ' CE1' ' A' ' 92' ' ' HIS . 0.8 OUTLIER -150.99 176.93 10.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.5 tt -113.85 139.17 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -116.01 153.16 32.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' HB ' ' A' ' 91' ' ' VAL . 3.5 tp -142.73 144.78 32.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.45 106.56 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG23 HD11 ' A' ' 31' ' ' LEU . 94.7 t -102.16 99.4 12.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.591 0.71 . . . . 0.0 111.126 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.615 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.9 Cg_endo -69.79 131.97 22.31 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.48 ' HB3' HG13 ' A' ' 37' ' ' VAL . 54.0 m-85 -117.94 134.84 54.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -76.61 49.2 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 35' ' ' PHE . 27.6 m -94.84 134.61 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.131 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -97.24 20.38 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -142.84 -179.84 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -83.88 132.52 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.655 ' O ' HD13 ' A' ' 83' ' ' ILE . 71.4 mt -88.05 135.13 33.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.8 mttt -106.09 144.93 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.46 -34.56 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.76 -31.71 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.5 m-20 -63.79 -40.34 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.626 HG12 HD23 ' A' ' 59' ' ' LEU . 34.5 m -94.99 160.54 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.5 t -129.96 107.87 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG13 HG22 ' A' ' 57' ' ' VAL . 97.5 t -126.32 111.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.22 115.58 30.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.4 HD11 HG13 ' A' ' 91' ' ' VAL . 64.1 mt -109.37 120.62 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -122.88 179.79 4.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -57.86 -54.36 47.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -128.2 37.91 4.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.2 t-80 -157.77 129.92 7.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.772 HD22 HD11 ' A' ' 93' ' ' LEU . 28.2 tp -128.4 143.39 50.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.621 ' H ' HD12 ' A' ' 55' ' ' LEU . 34.8 ttt180 -140.23 141.23 35.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG22 HG13 ' A' ' 48' ' ' VAL . 93.0 t -149.44 141.9 17.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.78 -158.81 31.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.626 HD23 HG12 ' A' ' 46' ' ' VAL . 4.7 mt -122.02 143.33 49.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -46.72 140.34 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.68 -50.1 2.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -74.16 161.38 78.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 143.31 50.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 2.256 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 120.62 7.38 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.741 2.294 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG12 ' CE2' ' A' ' 20' ' ' TYR . 82.1 t -62.6 -39.67 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -115.56 122.81 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -159.56 116.6 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.85 159.87 19.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 107' ' ' THR . 14.9 tt0 -67.4 117.28 9.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 54' ' ' HIS . 17.9 mt -52.68 134.83 35.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 102' ' ' TRP . 15.5 t80 -43.44 -43.0 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -143.79 175.66 9.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.43 155.4 29.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 74' ' ' VAL . 21.1 m -151.54 121.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -44.34 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.2 p -75.16 -37.17 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -60.11 -24.93 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.19 -39.49 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -48.03 154.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -166.96 174.83 8.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.456 ' CB ' HG22 ' A' ' 91' ' ' VAL . 57.5 p-90 -143.95 171.59 14.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 83' ' ' ILE . 1.7 pp -158.38 164.07 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 41' ' ' LEU . 63.9 mt -95.48 130.53 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -106.52 115.6 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' LYS . 18.5 m-20 51.23 38.5 21.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.468 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 37.65 28.6 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.792 ' HG3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -131.11 -29.99 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 110.946 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.792 HG23 ' HG3' ' A' ' 87' ' ' LYS . 66.4 t -121.54 159.47 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.527 ' N ' HG12 ' A' ' 88' ' ' VAL . 71.5 t -127.5 101.22 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.9 p -88.45 140.03 29.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.464 ' HB ' HD23 ' A' ' 31' ' ' LEU . 47.6 t -133.03 113.27 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CE1' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t60 -84.7 127.53 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.772 HD11 HD22 ' A' ' 55' ' ' LEU . 63.0 mt -116.09 115.42 26.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -83.14 128.51 34.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 96' ' ' ILE . 80.9 mttt -87.49 111.0 20.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 95' ' ' LYS . 36.7 mm -33.24 -40.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -120.65 117.89 28.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.56 -15.89 63.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mmt -96.99 31.32 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -131.66 140.19 49.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.529 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 56.4 m95 -104.15 168.45 9.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.585 ' CE3' HD13 ' A' ' 29' ' ' LEU . 7.9 m0 -125.34 133.39 52.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -84.13 -21.83 31.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -171.55 146.94 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.754 HD12 ' CG ' ' A' ' 22' ' ' TRP . 5.3 tt -47.84 -58.89 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.672 HG13 HD23 ' A' ' 105' ' ' LEU . 5.3 m -144.15 158.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 69' ' ' GLU . 67.4 p -45.86 -24.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.0 t -90.51 38.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.77 161.57 42.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.825 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 145.68 58.11 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -89.21 142.96 27.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.689 HD11 ' NE2' ' A' ' 24' ' ' GLN . 9.3 pt -131.32 139.31 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -60.03 131.05 49.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 81.6 p -103.97 167.61 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.5 tptt -99.61 -54.07 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.0 m 65.22 44.25 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.817 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -100.89 100.65 2.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.62 41.36 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -84.22 -61.08 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.7 t -161.95 139.51 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -154.16 134.52 13.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -133.44 105.62 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.51 -153.43 9.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -68.79 134.44 49.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.827 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -120.13 -46.56 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.13 118.85 4.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.62 152.67 78.13 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.06 14.04 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -84.07 -175.28 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 11' ' ' LEU . 5.9 tt -62.76 -45.72 91.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -80.92 41.28 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 43.31 44.14 4.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' HD13 ' A' ' 112' ' ' ILE . . . -112.02 -145.99 10.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -146.55 119.99 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -82.7 106.67 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -105.4 152.86 40.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.565 0.697 . . . . 0.0 110.93 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -19.41 36.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -92.85 -30.23 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 17' ' ' LEU . 6.1 p90 -174.01 165.91 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -122.6 129.3 51.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE3' ' O ' ' A' ' 22' ' ' TRP . 18.3 p-90 -137.6 137.56 38.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -117.83 157.86 25.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 7.1 pt20 -134.25 134.95 42.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 27' ' ' ALA . 49.4 p -134.01 144.66 48.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 11.9 mt -36.71 -29.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -78.43 -68.07 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -148.21 174.53 11.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD13 ' CE3' ' A' ' 102' ' ' TRP . 1.7 tt -112.56 132.59 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -110.75 148.01 33.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.692 HD12 ' N ' ' A' ' 32' ' ' ALA . 3.1 tp -137.03 145.44 44.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.692 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -140.88 107.76 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.009 HG11 HG11 ' A' ' 65' ' ' VAL . 92.4 t -104.14 101.09 24.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.748 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 125.57 12.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' VAL . 43.7 m-85 -114.72 116.91 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -63.65 76.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.605 HG11 HD21 ' A' ' 41' ' ' LEU . 35.5 m -118.62 150.05 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.7 m -110.55 23.96 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -147.78 -178.21 6.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -89.78 114.0 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD21 HG11 ' A' ' 37' ' ' VAL . 88.2 mt -71.27 148.28 47.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' ASP . 10.8 mmtp -117.23 141.99 47.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.41 -35.74 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -74.83 -38.78 61.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 42' ' ' LYS . 79.6 m-20 -57.71 -40.57 79.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.806 HG12 HD23 ' A' ' 59' ' ' LEU . 30.1 m -92.08 159.04 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.2 t -128.25 100.99 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.58 HG22 HG13 ' A' ' 57' ' ' VAL . 91.7 t -118.79 113.98 43.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.74 108.66 19.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.6 mt -100.07 126.02 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -125.86 175.53 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -59.33 -55.26 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -123.18 36.85 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.511 ' N ' HD12 ' A' ' 70' ' ' LEU . 41.7 t-80 -161.74 146.28 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.6 HD22 HD11 ' A' ' 93' ' ' LEU . 18.9 tp -145.9 141.77 28.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -140.21 137.28 34.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG13 HG22 ' A' ' 48' ' ' VAL . 80.2 t -140.49 144.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.01 -156.55 26.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.806 HD23 HG12 ' A' ' 46' ' ' VAL . 9.3 mt -132.36 138.51 47.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -39.78 137.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.12 -57.92 3.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -63.9 161.78 35.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 143.92 52.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.363 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 111.8 2.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.724 2.283 . . . . 0.0 112.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.009 HG11 HG11 ' A' ' 33' ' ' VAL . 12.6 p -57.3 -29.86 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.937 HG23 HG13 ' A' ' 65' ' ' VAL . 46.9 t -133.7 123.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -161.03 111.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.4 159.19 21.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -61.49 132.27 52.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 54' ' ' HIS . 37.9 mt -70.31 139.19 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -49.88 -41.51 45.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -140.7 -174.99 4.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -82.94 145.43 29.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.623 HG21 HD22 ' A' ' 93' ' ' LEU . 20.9 m -139.04 120.06 15.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -42.39 97.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.8 p -72.65 -36.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.44 -23.64 62.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -105.71 -39.23 6.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 m -48.95 159.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 28.4 p -173.56 172.44 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.425 ' CB ' HG22 ' A' ' 91' ' ' VAL . 50.3 p-90 -142.3 170.62 15.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.629 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.5 pp -158.79 156.44 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.503 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 96.8 mt -89.43 127.07 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' HG2' HD11 ' A' ' 82' ' ' LEU . 1.9 mm-40 -104.77 121.73 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 46.37 33.27 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.97 28.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.723 ' HG3' HG23 ' A' ' 88' ' ' VAL . 18.9 ptmt -130.09 -25.64 2.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.723 HG23 ' HG3' ' A' ' 87' ' ' LYS . 17.3 t -129.58 149.36 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 70.7 t -115.89 99.57 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.6 p -85.41 137.71 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' CB ' ' A' ' 81' ' ' TRP . 58.1 t -131.18 116.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 3.1 t60 -88.96 126.19 35.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.623 HD22 HG21 ' A' ' 74' ' ' VAL . 29.3 mt -115.77 117.3 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -83.29 120.21 25.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 96' ' ' ILE . 69.1 mttt -76.52 110.79 11.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 95' ' ' LYS . 25.1 mm -33.76 -37.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 95' ' ' LYS . 10.3 t-20 -124.51 120.83 33.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 26' ' ' LEU . 42.3 mmtt -70.48 -18.0 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 19.2 mmt -96.21 32.31 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -134.35 144.18 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 49.2 m95 -103.58 170.55 7.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.49 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.0 m95 -128.69 137.68 51.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -91.0 -19.58 23.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 20.2 ptt-85 -174.31 163.71 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.5 tp -68.95 -54.61 14.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.491 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.4 m -131.75 179.61 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 56.1 p -83.85 28.17 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.7 t -122.4 -50.14 2.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.491 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -59.51 162.73 7.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.39 56.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.82 154.08 28.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.447 HD11 ' NE2' ' A' ' 24' ' ' GLN . 8.1 pt -136.99 136.9 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -49.78 146.41 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 66.4 p -140.25 170.74 15.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -116.91 152.45 34.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.9 m -133.17 111.18 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.07 77.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.64 2.12 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.361 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.2 m 56.61 42.76 26.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t 66.3 42.36 3.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -167.93 141.05 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -92.24 -52.76 4.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.08 -102.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 p 42.37 33.64 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -92.38 150.66 20.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.92 -165.49 21.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -130.73 153.55 81.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.567 0.698 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 114.43 3.7 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 12' ' ' GLY . 25.0 p30 -85.93 -175.72 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -58.72 -37.13 75.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.487 ' N ' ' OD1' ' A' ' 10' ' ' ASN . . . -79.97 39.84 2.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 12' ' ' GLY . 72.1 m-20 33.93 37.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -111.22 -141.34 8.58 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.488 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.69 119.98 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -83.89 108.73 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD12 ' CD1' ' A' ' 20' ' ' TYR . 1.8 mt -108.12 152.37 41.78 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.619 0.723 . . . . 0.0 110.958 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.52 36.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -92.24 -32.22 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.697 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.8 p90 -171.84 159.8 5.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -118.57 134.89 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 45.0 p-90 -141.5 142.61 33.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -117.73 173.73 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 102' ' ' TRP . 14.7 pt20 -154.36 136.33 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.5 p -133.93 -175.32 3.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.705 HD21 ' NE1' ' A' ' 101' ' ' TRP . 23.8 mt -81.82 26.11 0.52 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.96 -52.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -161.45 175.36 12.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 tt -114.53 133.86 55.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.84 136.01 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD11 HG23 ' A' ' 33' ' ' VAL . 3.0 tp -131.34 133.8 45.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -130.49 111.66 12.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.717 HG11 HG11 ' A' ' 65' ' ' VAL . 91.2 t -104.96 102.32 35.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 111.108 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.69 121.85 8.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -108.8 116.25 31.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -65.53 76.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.89 146.26 30.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 m -105.53 24.59 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -145.87 -178.19 5.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HD3' ' NZ ' ' A' ' 42' ' ' LYS . 4.6 ttt85 -90.99 126.31 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.5 mt -80.76 148.49 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' NZ ' ' HD3' ' A' ' 40' ' ' ARG . 15.6 mmtm -110.77 148.8 31.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.74 -33.23 34.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -81.92 -31.27 31.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.42 -40.91 98.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.654 HG12 ' CD2' ' A' ' 59' ' ' LEU . 27.4 m -92.16 150.25 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.3 t -116.32 104.7 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.6 t -123.83 106.62 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -102.77 114.12 28.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 80.0 mt -106.5 115.51 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -117.09 173.24 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 -60.46 -52.22 66.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -123.07 37.75 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.8 t60 -165.34 144.79 6.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.873 HD22 HD11 ' A' ' 93' ' ' LEU . 30.6 tp -139.21 145.87 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' H ' HD12 ' A' ' 55' ' ' LEU . 62.0 ttt180 -140.22 141.75 35.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.9 t -149.1 143.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 166.05 -155.52 26.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.654 ' CD2' HG12 ' A' ' 46' ' ' VAL . 20.3 mt -128.88 148.75 50.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.378 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -48.35 138.94 9.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.88 -57.37 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.33 162.05 36.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.44 54.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 109.36 2.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.767 HG13 HG23 ' A' ' 66' ' ' VAL . 11.9 p -50.65 -34.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.767 HG23 HG13 ' A' ' 65' ' ' VAL . 62.1 t -130.55 117.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -154.05 110.68 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.07 156.5 15.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.16 131.04 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 54' ' ' HIS . 30.9 mt -69.81 133.54 47.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -44.32 -43.31 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -141.07 170.64 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -69.64 147.09 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.74 HG21 HD22 ' A' ' 93' ' ' LEU . 17.9 m -140.3 124.48 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -45.55 95.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 -39.28 67.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.78 -23.29 51.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -104.51 -40.03 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -49.2 149.77 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.5 p -167.83 147.56 4.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CB ' HG22 ' A' ' 91' ' ' VAL . 36.0 p-90 -115.87 171.65 7.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.522 HD11 ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp -160.13 141.51 12.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.469 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 97.1 mt -76.85 127.36 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' OE2' HD11 ' A' ' 82' ' ' LEU . 24.6 mm-40 -105.09 123.61 48.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' CB ' ' HD3' ' A' ' 87' ' ' LYS . 38.6 m-20 45.69 34.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.16 28.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.586 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.6 ptmt -129.61 -28.66 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.586 HG23 ' HG3' ' A' ' 87' ' ' LYS . 34.4 t -124.76 156.56 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.454 ' N ' HG12 ' A' ' 88' ' ' VAL . 74.4 t -123.34 97.35 4.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -85.16 135.68 33.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 81' ' ' TRP . 44.0 t -128.01 111.44 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.06 117.77 23.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.873 HD11 HD22 ' A' ' 55' ' ' LEU . 46.9 mt -110.13 117.33 33.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -83.51 121.58 27.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -76.79 117.2 18.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -45.96 -38.03 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.158 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 100' ' ' GLU . 9.5 m120 -118.93 80.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -42.48 -27.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.9 mmt -86.47 29.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 2.5 tp10 -137.27 146.94 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.705 ' NE1' HD21 ' A' ' 26' ' ' LEU . 82.5 m95 -100.54 171.73 7.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.498 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 7.3 m0 -124.44 143.26 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -88.91 -23.28 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -172.34 170.72 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.5 tp -71.22 -46.38 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.8 m -150.07 164.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.7 p -54.32 -32.34 56.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.9 p -82.22 40.39 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -146.88 159.59 42.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.728 . . . . 0.0 110.851 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.74 57.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.61 141.99 28.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.9 pt -125.12 134.52 66.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.074 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -54.92 124.52 16.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 p -110.89 112.34 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -73.75 111.44 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 66.8 m -133.12 154.26 50.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.04 -177.54 36.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.17 6.16 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m 39.6 42.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 64.8 p -55.87 117.57 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -61.49 171.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -39.4 125.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 81.97 107.14 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.0 t -38.4 103.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.883 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -96.21 110.03 22.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.05 93.74 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -134.24 152.63 78.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 131.26 20.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.46 -178.16 4.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -52.82 -45.25 67.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 13' ' ' ASN . . . -85.67 45.7 3.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 12' ' ' GLY . 40.9 m-80 34.72 45.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.26 -148.53 11.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.49 120.09 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.74 0.305 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -82.56 105.33 13.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -106.44 152.65 40.68 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.862 -179.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -20.01 35.43 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.96 -32.6 15.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CD1' HD12 ' A' ' 17' ' ' LEU . 4.0 p90 -175.16 157.72 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -113.68 133.67 55.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' C ' ' CE3' ' A' ' 22' ' ' TRP . 18.1 p-90 -142.38 143.58 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -124.27 161.77 25.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.569 ' NE2' HD11 ' A' ' 112' ' ' ILE . 6.9 pt20 -134.62 137.28 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 27' ' ' ALA . 67.8 p -134.31 144.25 48.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 12.6 mt -38.58 -26.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -81.75 -66.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.19 174.3 12.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.516 ' CD1' ' CE3' ' A' ' 102' ' ' TRP . 1.3 tt -111.75 136.32 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.17 151.9 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD23 ' HB ' ' A' ' 91' ' ' VAL . 2.9 tp -142.65 144.34 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -138.78 113.1 8.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.804 HG11 HG11 ' A' ' 65' ' ' VAL . 57.6 t -110.63 102.14 51.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.4 12.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.434 ' HB2' HD11 ' A' ' 41' ' ' LEU . 28.3 m-85 -114.13 114.53 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -61.86 79.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.932 HG11 HD21 ' A' ' 41' ' ' LEU . 34.5 m -120.63 152.48 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -105.99 13.27 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -146.79 -175.48 4.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -82.66 121.5 26.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.932 HD21 HG11 ' A' ' 37' ' ' VAL . 71.9 mt -68.9 127.25 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.0 mmmt -95.97 136.01 36.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.35 -38.17 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.3 pttt -69.37 -40.97 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.34 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' LYS . 5.6 m-20 -58.07 -38.89 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 59' ' ' LEU . 26.8 m -94.48 153.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.621 HG21 ' HE3' ' A' ' 60' ' ' LYS . 87.7 t -126.03 95.96 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 57' ' ' VAL . 79.6 t -114.64 110.18 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -108.71 114.31 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.416 HG21 ' HB3' ' A' ' 79' ' ' SER . 45.6 mt -105.67 125.19 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -125.84 178.46 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' NH1' HG12 ' A' ' 76' ' ' VAL . 23.4 tpp180 -58.37 -54.14 50.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -128.14 39.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -160.44 134.86 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.422 HD22 HD21 ' A' ' 93' ' ' LEU . 35.7 tp -135.9 139.55 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -140.15 139.08 35.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG13 HG22 ' A' ' 48' ' ' VAL . 78.3 t -144.93 147.57 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.45 -152.39 21.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 60' ' ' LYS . 17.9 mt -131.56 129.33 40.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.621 ' HE3' HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -31.99 -72.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.12 50.52 2.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -175.83 164.65 1.93 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.721 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.47 66.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 103.11 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.713 2.275 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.804 HG11 HG11 ' A' ' 33' ' ' VAL . 8.5 p -48.69 -32.87 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.765 HG23 HG13 ' A' ' 65' ' ' VAL . 47.3 t -130.45 120.8 49.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -152.66 106.39 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.55 152.37 9.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 107' ' ' THR . 39.5 tt0 -59.72 139.8 56.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 55.3 mt -74.63 140.39 44.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -49.92 -44.03 50.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -142.65 172.77 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.47 144.72 56.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 74' ' ' VAL . 33.2 m -137.77 120.82 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -44.01 91.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.7 p -65.56 -41.64 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.178 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -56.89 -19.46 17.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -106.35 -36.12 6.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 50' ' ' ILE . 4.4 m -50.72 151.1 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -170.23 148.4 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.424 ' CB ' HG22 ' A' ' 91' ' ' VAL . 41.3 p-90 -120.32 167.82 11.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 pp -155.21 150.23 26.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 41' ' ' LEU . 85.5 mt -84.85 126.15 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -104.18 131.22 51.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 87' ' ' LYS . 33.8 m-20 41.38 32.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 41.06 22.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.636 ' HG3' HG23 ' A' ' 88' ' ' VAL . 14.6 ptmt -127.11 -15.77 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.636 HG23 ' HG3' ' A' ' 87' ' ' LYS . 21.8 t -136.15 154.44 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.411 ' N ' HG12 ' A' ' 88' ' ' VAL . 25.9 t -120.81 100.94 9.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -88.34 138.65 31.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' HB ' HD23 ' A' ' 31' ' ' LEU . 43.1 t -129.77 115.14 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 92' ' ' HIS . 3.2 t60 -87.0 123.9 32.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.422 HD21 HD22 ' A' ' 55' ' ' LEU . 26.8 mt -112.09 117.35 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -83.43 123.72 29.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -81.57 117.46 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.6 mm -42.48 -36.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -124.4 118.26 26.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -69.07 -16.51 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.72 32.44 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -133.26 142.08 48.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.492 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 50.7 m95 -103.77 164.93 11.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.516 ' CE3' ' CD1' ' A' ' 29' ' ' LEU . 7.7 m0 -122.91 141.2 52.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -96.91 -14.62 21.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ptt-85 -173.08 161.33 4.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.669 ' HG ' HG13 ' A' ' 106' ' ' VAL . 21.4 tp -69.67 -59.21 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.669 HG13 ' HG ' ' A' ' 105' ' ' LEU . 12.4 m -130.1 -177.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 69' ' ' GLU . 82.1 p -84.24 26.01 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t -120.11 -43.8 2.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.51 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -69.63 162.37 67.76 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.23 35.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.312 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -91.77 160.29 15.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.569 HD11 ' NE2' ' A' ' 24' ' ' GLN . 6.8 pt -141.22 145.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -57.87 129.69 43.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 61.8 p -126.55 137.73 53.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -95.92 101.08 12.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.5 t -103.63 95.13 5.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -135.88 -176.12 14.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -20.11 35.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.305 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 t 55.36 42.13 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.8 t -98.83 -52.29 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t 71.78 42.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 p -58.43 149.48 24.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 -114.93 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -131.37 122.68 26.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -130.18 127.28 39.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.33 109.03 0.52 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -100.04 152.65 37.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 124.29 10.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -99.44 179.41 4.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 tt -43.49 -51.29 6.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -80.59 42.23 2.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.491 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 12' ' ' GLY . 70.3 m-80 36.26 30.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -93.9 -146.37 19.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.454 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.55 120.07 7.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -80.74 109.05 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.706 HD12 ' CE1' ' A' ' 20' ' ' TYR . 2.0 mt -112.44 151.3 43.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.722 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -21.86 33.0 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.348 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -89.59 -34.15 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.706 ' CE1' HD12 ' A' ' 17' ' ' LEU . 2.7 p90 -174.3 150.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 141.65 43.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.2 p-90 -146.82 145.83 30.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -122.03 164.69 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -138.66 132.83 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' ALA . 59.7 p -131.14 143.46 50.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -41.29 -24.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -83.87 -61.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.52 177.43 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.624 HD23 ' N ' ' A' ' 30' ' ' ASP . 1.3 tt -113.63 155.41 25.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.624 ' N ' HD23 ' A' ' 29' ' ' LEU . 8.3 m-20 -134.13 149.04 51.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG23 ' A' ' 33' ' ' VAL . 3.1 tp -139.81 146.36 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.579 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -139.97 106.0 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.661 HG23 HD11 ' A' ' 31' ' ' LEU . 92.8 t -107.82 104.77 54.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.617 0.723 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.604 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.4 Cg_endo -69.82 122.46 9.12 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -97.89 143.75 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -87.26 82.93 7.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.613 HG11 HD21 ' A' ' 41' ' ' LEU . 32.5 m -140.15 153.83 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -110.44 20.26 17.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.92 179.32 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -85.35 119.97 26.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD21 HG11 ' A' ' 37' ' ' VAL . 61.4 mt -74.58 139.28 43.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mmmt -101.14 136.71 40.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -38.94 -37.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -77.2 -36.61 54.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.325 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 42' ' ' LYS . 81.4 m-20 -58.47 -40.84 83.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.692 HG12 HD23 ' A' ' 59' ' ' LEU . 34.3 m -94.97 153.39 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.182 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -118.97 107.4 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.56 HG13 HG22 ' A' ' 57' ' ' VAL . 73.8 t -122.63 95.97 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -90.66 121.33 32.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.557 HG21 ' HB3' ' A' ' 79' ' ' SER . 62.7 mt -113.25 123.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -123.38 -176.08 3.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.2 tpp85 -64.44 -58.3 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -122.25 36.92 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 70' ' ' LEU . 38.3 t-80 -159.9 138.75 10.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 HD12 ' H ' ' A' ' 56' ' ' ARG . 15.5 tp -139.08 138.8 37.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' H ' HD12 ' A' ' 55' ' ' LEU . 35.3 ttt180 -137.13 131.92 33.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG22 HG13 ' A' ' 48' ' ' VAL . 53.4 t -134.94 154.35 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' N ' HG12 ' A' ' 57' ' ' VAL . . . 153.13 -151.0 22.85 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.692 HD23 HG12 ' A' ' 46' ' ' VAL . 60.0 mt -119.59 160.81 21.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.857 0.36 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -60.07 131.02 49.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.11 -55.9 3.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.472 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -57.2 162.24 4.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.66 23.82 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 128.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.1 t -63.55 -38.87 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.9 t -116.45 116.43 52.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -151.1 108.32 3.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.78 146.1 5.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -53.47 133.6 40.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 54' ' ' HIS . 43.4 mt -71.5 142.3 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -49.2 -55.68 11.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -128.22 174.7 9.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -71.14 151.61 44.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.578 HG21 HD22 ' A' ' 93' ' ' LEU . 31.1 m -143.58 127.32 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -46.98 89.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.9 p -64.92 -37.29 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.91 -22.09 46.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -107.89 -32.21 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.557 ' HB3' HG21 ' A' ' 50' ' ' ILE . 18.7 m -47.08 150.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.1 m -165.84 173.53 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.603 ' HB3' HG13 ' A' ' 91' ' ' VAL . 40.2 p-90 -146.63 170.15 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.6 pp -162.17 140.56 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.2 mt -78.92 123.25 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.6 mm-40 -99.13 143.8 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 41.3 25.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 48.57 17.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -128.51 -18.2 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 34' ' ' PRO . 61.9 t -122.24 157.54 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.494 ' N ' HG12 ' A' ' 88' ' ' VAL . 54.4 t -126.65 98.67 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.189 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.5 p -90.69 141.59 28.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.603 HG13 ' HB3' ' A' ' 81' ' ' TRP . 22.2 t -133.3 120.45 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -88.83 131.56 35.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.578 HD22 HG21 ' A' ' 74' ' ' VAL . 45.9 mt -119.74 116.7 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -83.66 118.82 24.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' CE ' ' CD1' ' A' ' 102' ' ' TRP . 72.8 mttt -75.38 120.11 20.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.1 mm -44.53 -39.83 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -118.52 114.32 22.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -68.62 -9.46 49.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 11.8 mmt -105.84 36.23 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 101' ' ' TRP . 3.0 tp10 -137.16 146.53 45.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.43 ' N ' ' HG3' ' A' ' 100' ' ' GLU . 50.5 m95 -105.7 168.82 8.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.432 ' CD1' ' CE ' ' A' ' 95' ' ' LYS . 8.0 m95 -122.57 146.7 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -100.27 -16.87 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 107' ' ' THR . 37.2 ptt180 -174.76 156.88 2.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 56.1 tp -62.4 -54.06 45.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG22 ' OD2' ' A' ' 109' ' ' ASP . 15.7 m -133.52 179.17 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.422 HG22 HH21 ' A' ' 104' ' ' ARG . 20.8 p -83.99 28.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.5 t -122.76 -45.61 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.499 ' OD2' HG22 ' A' ' 106' ' ' VAL . 0.2 OUTLIER -68.38 161.99 65.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.606 0.717 . . . . 0.0 110.829 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.56 69.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -75.88 165.47 24.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.2 pt -145.04 141.54 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -59.58 126.98 29.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 74.6 p -98.05 137.16 37.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.54 110.1 12.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.5 t -65.42 169.86 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.67 153.98 18.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 119' ' ' SER . 54.0 Cg_endo -69.79 142.74 48.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 118' ' ' PRO . 4.2 m 34.63 38.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.5 m -71.85 103.21 3.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -115.64 42.52 2.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 69.38 41.34 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.99 112.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -44.31 103.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 p -135.5 133.1 38.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.33 35.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -112.21 152.6 44.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.563 0.697 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 179.99 3.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.43 ' HB2' ' N ' ' A' ' 15' ' ' ALA . 25.0 t30 -129.52 -177.47 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.8 -53.5 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.91 56.85 4.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 66.6 m-80 45.73 37.34 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.45 -135.39 8.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' N ' ' HB2' ' A' ' 10' ' ' ASN . . . -149.7 121.91 8.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.19 111.45 19.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.712 HD12 ' CE1' ' A' ' 20' ' ' TYR . 5.0 mt -113.29 153.28 45.58 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.383 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -89.75 -34.77 16.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.712 ' CE1' HD12 ' A' ' 17' ' ' LEU . 2.5 p90 -169.06 161.17 10.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -120.54 131.03 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 105' ' ' LEU . 61.7 p-90 -138.1 144.61 40.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.3 p -117.75 176.08 5.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' NE2' HD11 ' A' ' 112' ' ' ILE . 26.1 pt20 -152.27 139.44 19.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 79.9 p -136.11 177.65 7.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.573 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 31.6 mt -80.95 17.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -126.96 -44.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -168.64 -179.66 3.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 tp -111.0 158.71 18.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -140.04 115.0 9.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 32' ' ' ALA . 5.0 tp -112.43 140.8 46.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.708 ' N ' HD12 ' A' ' 31' ' ' LEU . . . -136.84 119.68 16.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.054 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.784 HG11 HG11 ' A' ' 65' ' ' VAL . 92.3 t -112.45 100.04 48.83 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.585 0.707 . . . . 0.0 111.114 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.5 Cg_endo -69.73 121.99 8.68 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -111.42 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -67.06 72.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 87' ' ' LYS . 28.1 m -115.64 148.58 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 m -109.43 26.42 10.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -152.4 -177.99 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -87.21 127.98 35.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.68 ' O ' HD13 ' A' ' 83' ' ' ILE . 54.5 mt -84.34 139.44 32.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -104.77 146.96 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.61 -36.65 4.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 pttp -76.43 -36.27 58.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.04 -39.46 72.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.776 HG12 HD23 ' A' ' 59' ' ' LEU . 30.1 m -95.48 164.36 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -136.44 108.65 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 56' ' ' ARG . 99.1 t -127.69 120.7 54.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.77 103.91 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.2 mt -94.52 128.26 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -130.87 179.55 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -62.75 -52.72 62.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ttp-105 -126.0 34.5 4.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -158.13 142.87 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.734 HD22 HD11 ' A' ' 93' ' ' LEU . 26.7 tp -141.1 148.26 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.624 ' H ' HD12 ' A' ' 55' ' ' LEU . 17.8 ttm180 -140.19 143.38 36.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.3 t -148.31 139.7 17.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.78 -167.84 40.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.776 HD23 HG12 ' A' ' 46' ' ' VAL . 19.1 mt -117.05 137.87 51.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER -33.53 132.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.481 ' N ' ' HD3' ' A' ' 60' ' ' LYS . . . 76.09 -56.37 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -57.22 162.38 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.614 0.721 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.96 61.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 99.43 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.037 HG13 HG23 ' A' ' 66' ' ' VAL . 10.4 p -48.37 -29.19 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.037 HG23 HG13 ' A' ' 65' ' ' VAL . 42.0 t -130.78 115.9 32.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 67' ' ' ASP . 5.8 p-10 -153.16 106.41 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.39 147.71 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -54.71 131.95 44.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 mt -69.33 148.04 50.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.01 -40.07 72.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -142.47 -178.69 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.7 154.34 36.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.778 HG21 HD22 ' A' ' 93' ' ' LEU . 18.8 m -146.81 123.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -46.28 93.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' VAL . 7.6 p -70.57 -38.18 72.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -59.2 -21.89 60.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -106.03 -38.8 6.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -46.22 155.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.6 p -172.48 141.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.547 ' HB3' HG13 ' A' ' 91' ' ' VAL . 51.6 p-90 -111.72 171.73 7.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD12 ' N ' ' A' ' 83' ' ' ILE . 2.1 pp -158.78 168.76 25.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.68 HD13 ' O ' ' A' ' 41' ' ' LEU . 72.3 mt -100.55 127.3 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' A' ' 82' ' ' LEU . 30.8 mm-40 -105.0 124.76 50.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' CB ' ' HG2' ' A' ' 87' ' ' LYS . 22.6 m-20 45.32 34.32 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.477 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 40.36 29.44 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.743 ' HG3' HG23 ' A' ' 88' ' ' VAL . 11.6 ptmt -131.33 -29.79 1.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.743 HG23 ' HG3' ' A' ' 87' ' ' LYS . 22.7 t -122.93 156.6 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.451 ' N ' HG12 ' A' ' 88' ' ' VAL . 94.1 t -123.0 98.96 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -86.84 143.21 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.547 HG13 ' HB3' ' A' ' 81' ' ' TRP . 28.1 t -130.09 107.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -76.95 116.49 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 74' ' ' VAL . 33.5 mt -111.08 121.98 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.93 118.88 26.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -76.41 116.63 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.1 mm -44.25 -38.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -120.36 107.13 12.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 26' ' ' LEU . 17.6 mmtp -59.33 -33.06 70.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 7.8 mmt -84.63 29.69 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.25 137.55 52.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.573 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 60.1 m95 -102.8 167.61 9.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.403 ' O ' ' OE1' ' A' ' 24' ' ' GLN . 8.8 m0 -124.0 140.14 53.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -90.32 -17.22 27.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -172.24 167.11 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 22' ' ' TRP . 57.2 tp -69.74 -52.61 23.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.63 -176.17 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.2 p -83.95 25.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.3 m -125.45 -35.7 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.77 155.01 94.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.566 0.698 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.1 52.86 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.664 2.243 . . . . 0.0 112.298 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.65 155.88 36.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.495 HD11 ' NE2' ' A' ' 24' ' ' GLN . 5.5 pt -134.98 140.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -55.81 117.88 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 73.1 p -102.89 152.93 20.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.6 pttt -158.41 144.42 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.0 t -101.35 -57.17 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -149.96 160.22 28.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.33 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 t 62.77 43.88 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -60.43 101.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 p -113.81 111.01 21.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.358 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -89.91 81.82 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.47 -114.99 7.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.431 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 m -155.33 145.12 21.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.364 . . . . 0.0 110.881 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -89.12 86.44 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.68 99.25 0.15 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -131.31 150.77 77.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 125.5 12.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.86 167.06 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.3 mt -43.02 -41.04 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' GLY . . . -81.6 37.01 2.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 39.99 25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . -99.29 -150.45 25.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.93 120.81 12.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 111.084 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -81.5 110.28 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.607 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -111.88 152.87 44.52 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -23.11 31.52 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.706 2.271 . . . . 0.0 112.365 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -87.77 -34.56 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.607 ' CD1' HD12 ' A' ' 17' ' ' LEU . 5.8 p90 -172.38 159.71 4.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HG3' ' HB3' ' A' ' 32' ' ' ALA . 18.1 ptt180 -116.65 134.41 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.555 ' HB3' HD12 ' A' ' 31' ' ' LEU . 30.7 p-90 -139.92 135.39 32.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -118.54 140.97 49.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.733 ' NE2' HD11 ' A' ' 112' ' ' ILE . 7.3 pt20 -116.24 137.13 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 27' ' ' ALA . 21.3 p -135.36 144.62 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 101' ' ' TRP . 16.7 mt -37.81 -28.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.3 -65.19 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.35 176.6 11.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 tt -112.92 127.58 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -111.98 117.09 31.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.555 HD12 ' HB3' ' A' ' 22' ' ' TRP . 6.3 tp -104.43 150.82 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' ' 21' ' ' ARG . . . -141.23 115.18 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.011 HG11 HG11 ' A' ' 65' ' ' VAL . 59.8 t -116.4 105.55 50.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 111.082 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 122.73 9.4 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 59' ' ' LEU . 3.3 m-30 -99.11 113.33 25.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -61.65 82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 35' ' ' PHE . 35.1 m -140.87 154.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -111.83 24.28 12.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.4 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 29.9 p90 -141.92 -174.96 4.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -92.73 124.96 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' HB2' HG21 ' A' ' 83' ' ' ILE . 34.9 mt -76.96 155.01 33.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 24.3 mmtt -119.67 133.55 55.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.81 -35.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 pttm -74.97 -38.68 61.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 42' ' ' LYS . 83.3 m-20 -59.15 -40.45 85.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -92.76 148.65 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.6 t -124.23 97.79 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.157 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 57' ' ' VAL . 43.0 t -115.36 99.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.68 117.41 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.553 HG21 ' HB3' ' A' ' 79' ' ' SER . 70.1 mt -107.64 115.57 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -113.34 -177.27 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.9 tpp85 -63.23 -56.21 18.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -123.69 36.22 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -159.3 142.79 14.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.546 HD22 HD11 ' A' ' 93' ' ' LEU . 14.8 tp -144.61 144.98 31.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -139.28 145.63 39.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 48' ' ' VAL . 83.3 t -146.15 140.08 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 152.79 166.89 14.81 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD2' ' CE2' ' A' ' 35' ' ' PHE . 4.4 mm? -75.64 135.38 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 59' ' ' LEU . 1.4 tmtp? -34.29 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -80.76 57.14 4.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 mt-30 -168.36 166.41 7.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 110.932 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 62' ' ' GLN . 53.7 Cg_endo -69.73 137.0 34.49 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 110.81 2.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.689 2.26 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.045 HG13 HG23 ' A' ' 66' ' ' VAL . 7.2 p -55.75 -29.7 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.045 HG23 HG13 ' A' ' 65' ' ' VAL . 47.9 t -127.47 111.24 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -143.96 109.18 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.63 150.06 7.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.79 132.33 52.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.4 mt -65.61 148.31 51.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -55.7 -50.64 69.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -137.34 -178.55 5.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -72.13 140.73 49.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.582 HG21 HD22 ' A' ' 93' ' ' LEU . 18.8 m -134.41 120.99 35.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -42.09 93.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -68.77 -40.41 81.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -58.16 -21.65 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' CB ' ' OE1' ' A' ' 94' ' ' GLU . 18.1 mm-40 -106.25 -33.44 7.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.553 ' HB3' HG21 ' A' ' 50' ' ' ILE . 5.7 m -48.12 155.51 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 m -174.5 151.53 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CB ' HG22 ' A' ' 91' ' ' VAL . 58.2 p-90 -123.89 171.61 9.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 pp -161.29 144.71 12.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.439 HG21 ' HB2' ' A' ' 41' ' ' LEU . 10.4 mt -85.81 113.54 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.67 133.37 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.43 ' HB3' ' CG ' ' A' ' 87' ' ' LYS . 31.2 t0 56.3 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 46.11 19.5 0.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' CG ' ' HB3' ' A' ' 85' ' ' ASP . 9.4 ptpt -131.7 -28.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.24 146.08 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.6 t -114.66 102.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.8 p -95.58 127.34 41.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 81' ' ' TRP . 60.9 t -113.21 120.38 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 2.7 t60 -91.33 113.73 26.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.582 HD22 HG21 ' A' ' 74' ' ' VAL . 36.5 mt -105.86 117.02 32.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CB ' ' A' ' 78' ' ' GLU . 2.3 tt0 -83.34 125.13 31.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 96' ' ' ILE . 73.6 mttt -81.79 113.58 19.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 95' ' ' LYS . 17.8 mm -34.09 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 95' ' ' LYS . 44.3 t30 -124.58 126.56 46.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -75.41 -14.2 60.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.3 mmt -100.74 35.82 2.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -135.48 145.17 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 26' ' ' LEU . 44.4 m95 -106.34 165.76 11.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.493 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.2 m95 -120.67 141.08 50.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -94.12 -19.65 20.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -175.1 156.01 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.577 ' HG ' HG13 ' A' ' 106' ' ' VAL . 36.2 tp -61.3 -65.03 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.577 HG13 ' HG ' ' A' ' 105' ' ' LEU . 6.9 m -128.35 150.28 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 48.0 p -42.01 -29.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.8 t -71.04 -45.22 64.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.466 ' H ' HG23 ' A' ' 106' ' ' VAL . 5.2 m-20 -59.97 156.04 39.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.47 67.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.263 . . . . 0.0 112.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.02 148.93 22.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.733 HD11 ' NE2' ' A' ' 24' ' ' GLN . 5.4 pt -130.0 130.31 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -46.53 120.19 2.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.6 p -105.92 120.31 41.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -133.88 142.23 47.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.9 p -146.27 106.58 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -175.48 147.94 9.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -174.75 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.0 t -71.97 145.49 48.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.6 m -159.37 155.87 27.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -147.84 150.76 34.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -123.31 81.29 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.49 129.23 8.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.527 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -58.42 -53.04 62.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -58.08 129.26 41.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 171.33 38.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -113.75 153.4 45.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.92 10.57 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -94.91 -178.82 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -55.25 -39.53 69.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -83.02 35.89 2.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 28.9 m-80 41.62 30.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.52 -147.76 20.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.12 121.22 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -79.79 109.73 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 20' ' ' TYR . 0.5 OUTLIER -111.12 150.82 42.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.673 0.749 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -20.09 35.3 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -89.79 -32.75 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CE2' HG22 ' A' ' 66' ' ' VAL . 5.1 p90 -174.45 153.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -110.24 136.31 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.521 ' CD2' ' HB2' ' A' ' 105' ' ' LEU . 48.2 p-90 -142.85 137.44 29.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -122.43 147.86 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.479 ' NE2' HD11 ' A' ' 112' ' ' ILE . 8.0 pt20 -124.57 127.41 47.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ALA . 71.6 p -125.23 143.73 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HG ' ' CZ2' ' A' ' 101' ' ' TRP . 13.2 mt -37.09 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 25' ' ' THR . . . -79.97 -67.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -150.58 177.41 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 tt -111.17 140.51 45.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.64 117.24 24.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.816 HD12 ' H ' ' A' ' 32' ' ' ALA . 6.1 tp -105.33 148.12 27.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.816 ' H ' HD12 ' A' ' 31' ' ' LEU . . . -142.21 112.73 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.6 t -109.42 103.71 53.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.735 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' HA ' HG22 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.8 121.96 8.64 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' VAL . 26.3 m-85 -107.29 111.8 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -60.71 76.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' PHE . 33.6 m -123.23 149.61 27.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -109.32 25.97 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -145.96 -176.8 5.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.2 ttt-85 -90.92 128.06 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.63 150.52 25.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.2 mmtp -122.82 140.12 53.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -39.45 -38.88 1.04 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 45' ' ' ASP . 1.6 pptp? -75.14 -36.52 61.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.464 ' N ' ' HD2' ' A' ' 44' ' ' LYS . 26.5 t0 -60.17 -38.67 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.704 HG12 ' CD2' ' A' ' 59' ' ' LEU . 34.9 m -96.24 152.06 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.444 ' CG1' ' NH2' ' A' ' 56' ' ' ARG . 53.3 t -119.4 113.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.0 t -131.12 120.32 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -116.25 104.3 11.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.5 mt -93.42 131.61 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -128.15 178.19 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -62.76 -52.04 64.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -125.54 34.97 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.442 ' N ' HD12 ' A' ' 70' ' ' LEU . 12.5 t-80 -161.23 149.9 16.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.605 HD22 HD11 ' A' ' 93' ' ' LEU . 18.2 tp -146.59 147.25 30.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.474 ' H ' HD12 ' A' ' 55' ' ' LEU . 33.3 ttp180 -139.12 136.74 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 65' ' ' VAL . 84.1 t -140.1 137.32 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 176.67 -155.99 19.79 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.429 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.704 ' CD2' HG12 ' A' ' 46' ' ' VAL . 36.8 mt -129.98 145.9 51.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.903 0.383 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 2.5 tmtp? -33.62 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 62' ' ' GLN . . . -85.51 60.46 4.7 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.499 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 61' ' ' GLY . 2.8 mt-30 -177.33 155.35 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 154.42 67.81 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 110.39 2.54 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' VAL . 59.2 t -54.31 -38.44 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 20' ' ' TYR . 82.7 t -117.62 109.86 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -139.96 111.58 7.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 174.17 151.63 8.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -62.98 133.44 54.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 54' ' ' HIS . 25.3 mt -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -49.89 -53.2 27.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -131.25 -175.04 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -78.61 142.6 37.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.873 HG21 HD22 ' A' ' 93' ' ' LEU . 21.2 m -135.18 123.21 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -44.46 95.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 74' ' ' VAL . 6.5 p -72.53 -40.25 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -57.04 -21.09 28.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -107.46 -39.05 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 m -47.26 152.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.6 p -168.25 147.01 4.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.436 ' HB3' HG13 ' A' ' 91' ' ' VAL . 41.1 p-90 -112.3 170.76 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 82' ' ' LEU . 1.9 pp -158.93 143.16 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CG2' ' HA2' ' A' ' 86' ' ' GLY . 42.8 mt -78.52 128.01 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.56 ' HG2' HD11 ' A' ' 82' ' ' LEU . 1.7 mm-40 -107.27 124.51 49.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' CB ' ' HG2' ' A' ' 87' ' ' LYS . 75.8 m-20 47.91 30.62 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.485 ' HA2' ' CG2' ' A' ' 83' ' ' ILE . . . 42.52 28.14 0.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.453 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.54 ' HG3' HG23 ' A' ' 88' ' ' VAL . 9.0 ptpt -131.24 -28.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.75 0.31 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.54 HG23 ' HG3' ' A' ' 87' ' ' LYS . 20.1 t -123.97 149.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.42 99.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.0 p -88.1 139.01 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.436 HG13 ' HB3' ' A' ' 81' ' ' TRP . 37.8 t -129.16 111.46 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -81.11 116.98 21.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.873 HD22 HG21 ' A' ' 74' ' ' VAL . 44.8 mt -110.67 116.46 31.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -83.16 124.11 30.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ILE . 74.7 mttt -79.41 111.03 15.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 95' ' ' LYS . 34.3 mm -33.67 -36.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' LYS . 48.6 m-80 -125.29 121.62 34.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 26' ' ' LEU . 36.6 mmtt -73.99 -17.06 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.6 mmt -97.35 32.04 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -135.96 142.2 44.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.556 ' CZ2' ' HG ' ' A' ' 26' ' ' LEU . 57.5 m95 -101.1 174.31 6.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.475 ' O ' ' NE2' ' A' ' 24' ' ' GLN . 6.4 m0 -125.89 148.15 49.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.931 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -96.57 -20.88 18.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.433 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 13.7 ptt-85 -174.83 165.21 3.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HG ' HG13 ' A' ' 106' ' ' VAL . 53.6 tp -67.5 -56.82 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.562 HG13 ' HG ' ' A' ' 105' ' ' LEU . 15.2 m -137.16 151.3 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 30.8 p -46.36 -40.33 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.1 m -60.7 -31.97 71.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.12 161.46 73.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.607 0.718 . . . . 0.0 110.813 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.52 18.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.84 146.22 29.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.479 HD11 ' NE2' ' A' ' 24' ' ' GLN . 6.9 pt -124.8 134.21 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -55.26 122.13 10.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 72.8 p -96.38 155.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -133.49 141.01 47.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 40.8 t -136.64 123.41 21.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -115.91 78.1 0.28 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.331 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.2 m -49.83 105.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 99.3 p -123.52 169.82 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 stop_ save_